NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596355 | 2n4n | 25673 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 0 HA2 ACE 0 12.342 -2.012 -1.384 2 H2 ACE 0 HA3 ACE 0 10.601 -1.819 -1.180 3 H3 ACE 0 HA1 ACE 0 11.692 -1.446 0.155 4 H GLU 1 HN GLU 1 13.609 0.085 -0.914 5 HA GLU 1 HA GLU 1 12.563 2.125 -2.658 6 HB2 GLU 1 HB2 GLU 1 12.709 3.970 -1.030 7 HB3 GLU 1 HB1 GLU 1 11.483 2.795 -0.564 8 HG2 GLU 1 HG2 GLU 1 13.057 1.751 1.004 9 HG3 GLU 1 HG1 GLU 1 14.305 2.904 0.537 10 H ARG 2 HN ARG 2 14.342 4.189 -1.652 11 HA ARG 2 HA ARG 2 16.916 3.044 -2.550 12 HB2 ARG 2 HB2 ARG 2 15.984 5.933 -2.538 13 HB3 ARG 2 HB1 ARG 2 17.556 5.382 -3.082 14 HG2 ARG 2 HG2 ARG 2 16.149 5.807 -5.010 15 HG3 ARG 2 HG1 ARG 2 16.442 4.084 -4.890 16 HD2 ARG 2 HD2 ARG 2 14.221 3.720 -3.974 17 HD3 ARG 2 HD1 ARG 2 13.921 5.446 -3.890 18 HE ARG 2 HE ARG 2 13.567 3.758 -6.147 19 HH11 ARG 2 HH21 ARG 2 14.628 6.916 -5.188 20 HH12 ARG 2 HH22 ARG 2 14.348 7.626 -6.743 21 HH21 ARG 2 HH11 ARG 2 13.196 4.691 -8.177 22 HH22 ARG 2 HH12 ARG 2 13.538 6.370 -8.432 23 H PHE 3 HN PHE 3 18.832 3.536 -1.430 24 HA PHE 3 HA PHE 3 18.626 5.040 1.090 25 HB2 PHE 3 HB2 PHE 3 17.999 2.720 1.631 26 HB3 PHE 3 HB1 PHE 3 19.509 2.158 0.919 27 HD1 PHE 3 HD1 PHE 3 18.465 4.824 3.377 28 HD2 PHE 3 HD2 PHE 3 21.139 1.577 2.479 29 HE1 PHE 3 HE1 PHE 3 19.566 5.117 5.576 30 HE2 PHE 3 HE2 PHE 3 22.227 1.875 4.676 31 HZ PHE 3 HZ PHE 3 21.448 3.641 6.227 32 H TYR 4 HN TYR 4 20.334 6.350 1.200 33 HA TYR 4 HA TYR 4 22.940 5.454 0.109 34 HB2 TYR 4 HB2 TYR 4 21.995 7.003 -1.494 35 HB3 TYR 4 HB1 TYR 4 21.649 8.167 -0.220 36 HD1 TYR 4 HD1 TYR 4 24.668 6.128 -1.288 37 HD2 TYR 4 HD2 TYR 4 23.112 9.974 -0.154 38 HE1 TYR 4 HE1 TYR 4 26.911 7.119 -1.567 39 HE2 TYR 4 HE2 TYR 4 25.367 10.955 -0.425 40 HH TYR 4 HH TYR 4 28.009 9.140 -1.827 41 H GLU 5 HN GLU 5 24.142 5.137 1.856 42 HA GLU 5 HA GLU 5 24.659 7.452 3.598 43 HB2 GLU 5 HB2 GLU 5 24.014 4.691 4.659 44 HB3 GLU 5 HB1 GLU 5 24.623 6.029 5.623 45 HG2 GLU 5 HG2 GLU 5 22.009 6.011 4.084 46 HG3 GLU 5 HG1 GLU 5 22.171 5.818 5.827 47 H LYS 6 HN LYS 6 26.762 7.445 4.490 48 HA LYS 6 HA LYS 6 28.590 5.374 3.388 49 HB2 LYS 6 HB2 LYS 6 30.280 7.131 3.186 50 HB3 LYS 6 HB1 LYS 6 28.875 7.489 2.183 51 HG2 LYS 6 HG2 LYS 6 27.994 8.962 3.988 52 HG3 LYS 6 HG1 LYS 6 29.447 8.655 4.930 53 HD2 LYS 6 HD2 LYS 6 29.374 9.981 2.200 54 HD3 LYS 6 HD1 LYS 6 29.573 10.820 3.732 55 HE2 LYS 6 HE2 LYS 6 31.508 8.797 2.542 56 HE3 LYS 6 HE1 LYS 6 31.740 10.531 2.654 57 HZ1 LYS 6 HZ1 LYS 6 32.831 9.823 4.511 58 HZ2 LYS 6 HZ2 LYS 6 31.764 8.533 4.801 59 HZ3 LYS 6 HZ3 LYS 6 31.292 10.125 5.158 60 HAC 4G6 7 HAC 4G6 7 32.965 6.572 5.227 61 HAB 4G6 7 HAB 4G6 7 32.247 7.280 6.693 62 HAA 4G6 7 HAA 4G6 7 33.879 6.572 6.753 63 HAF 4G6 7 HAF 4G6 7 32.415 3.726 8.301 64 HAD 4G6 7 HAD 4G6 7 32.514 5.436 8.793 65 HAE 4G6 7 HAE 4G6 7 33.906 4.650 8.009 66 HAL 4G6 7 HAL 4G6 7 33.459 4.305 5.081 67 HAH 4G6 7 HAH 4G6 7 30.530 6.135 7.397 68 HAG 4G6 7 HAG 4G6 7 30.347 4.379 7.215 69 HAI 4G6 7 HAI 4G6 7 30.626 5.138 4.620 70 HA DPR 8 HA PRO 8 33.558 2.288 4.188 71 HB2 DPR 8 HB2 PRO 8 33.390 0.307 5.392 72 HB3 DPR 8 HB1 PRO 8 31.633 0.462 5.600 73 HG2 DPR 8 HG2 PRO 8 33.182 -0.578 3.281 74 HG3 DPR 8 HG1 PRO 8 31.593 -1.069 3.886 75 HD2 DPR 8 HD2 PRO 8 32.044 0.616 1.675 76 HD3 DPR 8 HD1 PRO 8 30.498 0.449 2.535 77 H VAL 9 HN VAL 9 28.454 3.623 2.207 78 HA VAL 9 HA VAL 9 30.690 2.260 0.800 79 HB VAL 9 HB VAL 9 30.196 5.215 1.239 80 HG11 VAL 9 HG11 VAL 9 32.389 3.656 -0.151 81 HG12 VAL 9 HG12 VAL 9 32.560 4.811 1.170 82 HG13 VAL 9 HG13 VAL 9 32.103 5.372 -0.438 83 HG21 VAL 9 HG21 VAL 9 30.150 3.631 -1.342 84 HG22 VAL 9 HG22 VAL 9 29.655 5.307 -1.098 85 HG23 VAL 9 HG23 VAL 9 28.694 3.995 -0.415 86 H GLN 10 HN GLN 10 26.264 0.134 0.559 87 HA GLN 10 HA GLN 10 26.471 2.685 2.073 88 HB2 GLN 10 HB2 GLN 10 27.195 -0.098 3.016 89 HB3 GLN 10 HB1 GLN 10 27.385 1.384 3.940 90 HG2 GLN 10 HG2 GLN 10 24.741 0.266 2.972 91 HG3 GLN 10 HG1 GLN 10 25.368 0.106 4.609 92 HE21 GLN 10 HE21 GLN 10 24.625 1.655 6.023 93 HE22 GLN 10 HE22 GLN 10 24.067 3.196 5.589 94 H LYS 11 HN LYS 11 22.263 1.444 -0.058 95 HA LYS 11 HA LYS 11 24.431 -0.317 -0.375 96 HB2 LYS 11 HB2 LYS 11 25.652 1.144 -2.132 97 HB3 LYS 11 HB1 LYS 11 24.497 -0.067 -2.648 98 HG2 LYS 11 HG2 LYS 11 24.218 2.039 -3.870 99 HG3 LYS 11 HG1 LYS 11 22.790 1.654 -2.929 100 HD2 LYS 11 HD2 LYS 11 23.469 3.276 -1.222 101 HD3 LYS 11 HD1 LYS 11 24.922 3.660 -2.152 102 HE2 LYS 11 HE2 LYS 11 22.066 3.950 -3.139 103 HE3 LYS 11 HE1 LYS 11 23.078 5.279 -2.608 104 HZ1 LYS 11 HZ1 LYS 11 23.526 5.355 -4.806 105 HZ2 LYS 11 HZ2 LYS 11 23.209 3.706 -5.055 106 HZ3 LYS 11 HZ3 LYS 11 24.691 4.199 -4.383 107 H PHE 12 HN PHE 12 19.993 -1.506 -2.545 108 HA PHE 12 HA PHE 12 20.214 1.046 -1.048 109 HB2 PHE 12 HB2 PHE 12 20.125 -1.790 0.021 110 HB3 PHE 12 HB1 PHE 12 20.414 -0.351 0.991 111 HD1 PHE 12 HD1 PHE 12 17.918 -1.547 -1.598 112 HD2 PHE 12 HD2 PHE 12 18.566 0.497 2.133 113 HE1 PHE 12 HE1 PHE 12 15.498 -1.127 -1.402 114 HE2 PHE 12 HE2 PHE 12 16.136 0.906 2.317 115 HZ PHE 12 HZ PHE 12 14.612 0.103 0.545 116 H ILE 13 HN ILE 13 16.715 -0.881 -3.236 117 HA ILE 13 HA ILE 13 19.207 -1.377 -4.577 118 HB ILE 13 HB ILE 13 19.280 0.825 -5.767 119 HG12 ILE 13 HG12 ILE 13 16.281 0.826 -5.277 120 HG13 ILE 13 HG11 ILE 13 17.415 1.940 -4.540 121 HG21 ILE 13 HG21 ILE 13 18.704 -1.420 -6.841 122 HG22 ILE 13 HG22 ILE 13 18.200 0.018 -7.722 123 HG23 ILE 13 HG23 ILE 13 17.018 -0.897 -6.792 124 HD11 ILE 13 HD11 ILE 13 17.806 3.095 -6.516 125 HD12 ILE 13 HD12 ILE 13 16.111 2.655 -6.707 126 HD13 ILE 13 HD13 ILE 13 17.355 1.733 -7.537 127 H ARG 14 HN ARG 14 14.766 -3.005 -6.097 128 HA ARG 14 HA ARG 14 15.033 -2.156 -3.453 129 HB2 ARG 14 HB2 ARG 14 16.509 -3.831 -2.470 130 HB3 ARG 14 HB1 ARG 14 14.929 -4.505 -2.800 131 HG2 ARG 14 HG2 ARG 14 17.346 -4.889 -4.570 132 HG3 ARG 14 HG1 ARG 14 16.788 -6.054 -3.398 133 HD2 ARG 14 HD2 ARG 14 14.569 -6.075 -4.613 134 HD3 ARG 14 HD1 ARG 14 15.345 -5.119 -5.871 135 HE ARG 14 HE ARG 14 15.696 -7.885 -5.430 136 HH11 ARG 14 HH21 ARG 14 17.247 -4.972 -6.451 137 HH12 ARG 14 HH22 ARG 14 18.498 -5.778 -7.337 138 HH21 ARG 14 HH11 ARG 14 17.345 -8.960 -6.588 139 HH22 ARG 14 HH12 ARG 14 18.554 -8.034 -7.413 140 H VAL 15 HN VAL 15 11.437 -5.533 -5.018 141 HA VAL 15 HA VAL 15 13.031 -4.052 -6.988 142 HB VAL 15 HB VAL 15 12.068 -1.866 -6.370 143 HG11 VAL 15 HG11 VAL 15 11.199 -3.251 -8.341 144 HG12 VAL 15 HG12 VAL 15 10.126 -1.989 -7.741 145 HG13 VAL 15 HG13 VAL 15 9.830 -3.670 -7.310 146 HG21 VAL 15 HG21 VAL 15 11.186 -2.303 -4.192 147 HG22 VAL 15 HG22 VAL 15 10.172 -3.615 -4.791 148 HG23 VAL 15 HG23 VAL 15 9.795 -1.945 -5.216 149 H8 4FU 16 HAM 4FU 16 10.554 -9.276 -6.948 150 H9 4FU 16 HAI 4FU 16 12.007 -7.404 -8.853 151 HAI 4FU 16 HAJ 4FU 16 11.974 -9.179 -8.965 152 H112 4FU 16 HAE 4FU 16 9.528 -9.147 -9.196 153 H111 4FU 16 HAF 4FU 16 10.301 -8.170 -10.465 154 HAG 4FU 16 HAG 4FU 16 9.827 -6.114 -9.202 155 H12 4FU 16 HAH 4FU 16 8.335 -7.037 -9.467 156 HAL 4FU 16 HAL 4FU 16 8.469 -7.985 -7.224 157 HAK 4FU 16 HAK 4FU 16 8.498 -6.212 -7.131 158 H14 4FU 16 HAN 4FU 16 10.173 -7.227 -5.628 159 H GLY 17 HN GLY 17 12.205 -10.407 -6.055 160 HA2 GLY 17 HA2 GLY 17 14.156 -10.868 -4.922 161 HA3 GLY 17 HA1 GLY 17 14.851 -9.439 -5.687 162 H VAL 18 HN VAL 18 14.737 -10.563 -2.806 163 HA VAL 18 HA VAL 18 13.241 -8.774 -1.232 164 HB VAL 18 HB VAL 18 14.708 -9.488 0.631 165 HG11 VAL 18 HG11 VAL 18 14.121 -11.854 -1.162 166 HG12 VAL 18 HG12 VAL 18 12.842 -10.930 -0.373 167 HG13 VAL 18 HG13 VAL 18 14.044 -11.778 0.599 168 HG21 VAL 18 HG21 VAL 18 16.428 -11.362 -0.158 169 HG22 VAL 18 HG22 VAL 18 16.903 -9.669 -0.171 170 HG23 VAL 18 HG23 VAL 18 16.405 -10.451 -1.669 171 H THR 19 HN THR 19 15.956 -8.213 0.333 172 HA THR 19 HA THR 19 16.672 -5.766 -1.175 173 HB THR 19 HB THR 19 16.697 -4.522 0.933 174 HG1 THR 19 HG1 THR 19 15.273 -6.114 2.463 175 HG21 THR 19 HG21 THR 19 14.027 -5.899 0.801 176 HG22 THR 19 HG22 THR 19 14.574 -4.934 -0.566 177 HG23 THR 19 HG23 THR 19 14.377 -4.185 1.019 178 H ILE 20 HN ILE 20 18.772 -4.985 -0.910 179 HA ILE 20 HA ILE 20 20.642 -6.377 0.818 180 HB ILE 20 HB ILE 20 20.505 -7.899 -1.135 181 HG12 ILE 20 HG12 ILE 20 22.919 -7.927 -1.689 182 HG13 ILE 20 HG11 ILE 20 23.092 -6.314 -1.009 183 HG21 ILE 20 HG21 ILE 20 21.064 -7.161 -3.341 184 HG22 ILE 20 HG22 ILE 20 21.599 -5.588 -2.750 185 HG23 ILE 20 HG23 ILE 20 19.885 -6.005 -2.721 186 HD11 ILE 20 HD11 ILE 20 22.847 -7.057 1.179 187 HD12 ILE 20 HD12 ILE 20 23.647 -8.448 0.453 188 HD13 ILE 20 HD13 ILE 20 21.903 -8.471 0.708 189 H ARG 21 HN ARG 21 22.697 -5.274 0.930 190 HA ARG 21 HA ARG 21 22.906 -2.761 -0.550 191 HB2 ARG 21 HB2 ARG 21 23.429 -1.421 1.410 192 HB3 ARG 21 HB1 ARG 21 21.819 -2.080 1.530 193 HG2 ARG 21 HG2 ARG 21 24.227 -3.252 2.933 194 HG3 ARG 21 HG1 ARG 21 23.099 -2.129 3.678 195 HD2 ARG 21 HD2 ARG 21 22.448 -4.911 2.667 196 HD3 ARG 21 HD1 ARG 21 22.527 -4.387 4.326 197 HE ARG 21 HE ARG 21 20.688 -2.725 3.027 198 HH11 ARG 21 HH21 ARG 21 21.119 -6.050 3.897 199 HH12 ARG 21 HH22 ARG 21 19.425 -6.368 4.065 200 HH21 ARG 21 HH11 ARG 21 18.470 -3.135 3.246 201 HH22 ARG 21 HH12 ARG 21 17.924 -4.716 3.695 202 H GLU 22 HN GLU 22 24.911 -1.974 -0.890 203 HA GLU 22 HA GLU 22 27.240 -2.928 0.462 204 HB2 GLU 22 HB2 GLU 22 28.247 -4.240 -1.347 205 HB3 GLU 22 HB1 GLU 22 26.751 -4.987 -0.795 206 HG2 GLU 22 HG2 GLU 22 27.037 -3.228 -3.254 207 HG3 GLU 22 HG1 GLU 22 26.885 -4.981 -3.259 208 H LYS 23 HN LYS 23 29.250 -2.127 -0.518 209 HA LYS 23 HA LYS 23 30.358 -0.147 -1.104 210 HB2 LYS 23 HB2 LYS 23 29.134 -1.016 -3.729 211 HB3 LYS 23 HB1 LYS 23 30.585 -0.047 -3.530 212 HG2 LYS 23 HG2 LYS 23 30.252 -2.904 -2.596 213 HG3 LYS 23 HG1 LYS 23 31.114 -2.400 -4.042 214 HD2 LYS 23 HD2 LYS 23 32.685 -1.091 -2.616 215 HD3 LYS 23 HD1 LYS 23 31.850 -1.694 -1.184 216 HE2 LYS 23 HE2 LYS 23 33.809 -3.068 -1.643 217 HE3 LYS 23 HE1 LYS 23 32.326 -3.995 -1.854 218 HZ1 LYS 23 HZ1 LYS 23 33.369 -2.612 -4.195 219 HZ2 LYS 23 HZ2 LYS 23 32.597 -4.122 -4.078 220 HZ3 LYS 23 HZ3 LYS 23 34.236 -3.967 -3.660 221 HN1 NH2 24 H2 LYS 23 27.172 1.904 -1.065 222 HN2 NH2 24 H1 LYS 23 27.491 0.420 -0.318 Start of MODEL 2 1 H1 ACE 0 HA2 ACE 0 10.325 -2.434 1.026 2 H2 ACE 0 HA3 ACE 0 11.096 -1.811 2.484 3 H3 ACE 0 HA1 ACE 0 12.086 -2.397 1.147 4 H GLU 1 HN GLU 1 13.143 -0.612 0.432 5 HA GLU 1 HA GLU 1 11.751 1.383 -1.022 6 HB2 GLU 1 HB2 GLU 1 12.245 3.338 0.399 7 HB3 GLU 1 HB1 GLU 1 11.170 2.208 1.208 8 HG2 GLU 1 HG2 GLU 1 13.078 1.241 2.429 9 HG3 GLU 1 HG1 GLU 1 14.168 2.370 1.626 10 H ARG 2 HN ARG 2 13.750 3.471 -0.335 11 HA ARG 2 HA ARG 2 16.187 2.352 -1.602 12 HB2 ARG 2 HB2 ARG 2 14.879 5.044 -2.101 13 HB3 ARG 2 HB1 ARG 2 16.338 4.444 -2.876 14 HG2 ARG 2 HG2 ARG 2 13.585 3.197 -3.150 15 HG3 ARG 2 HG1 ARG 2 14.337 4.252 -4.336 16 HD2 ARG 2 HD2 ARG 2 16.183 2.622 -4.585 17 HD3 ARG 2 HD1 ARG 2 15.388 1.551 -3.440 18 HE ARG 2 HE ARG 2 14.060 0.833 -5.162 19 HH11 ARG 2 HH21 ARG 2 15.270 4.003 -5.877 20 HH12 ARG 2 HH22 ARG 2 14.472 4.105 -7.411 21 HH21 ARG 2 HH11 ARG 2 13.029 0.963 -7.167 22 HH22 ARG 2 HH12 ARG 2 13.206 2.384 -8.141 23 H PHE 3 HN PHE 3 18.021 2.795 -0.528 24 HA PHE 3 HA PHE 3 18.596 5.274 0.623 25 HB2 PHE 3 HB2 PHE 3 17.001 4.694 2.408 26 HB3 PHE 3 HB1 PHE 3 17.890 3.202 2.731 27 HD1 PHE 3 HD1 PHE 3 18.884 6.832 2.184 28 HD2 PHE 3 HD2 PHE 3 19.133 3.374 4.710 29 HE1 PHE 3 HE1 PHE 3 20.438 8.030 3.687 30 HE2 PHE 3 HE2 PHE 3 20.713 4.556 6.188 31 HZ PHE 3 HZ PHE 3 21.379 6.881 5.678 32 H TYR 4 HN TYR 4 20.637 4.804 2.368 33 HA TYR 4 HA TYR 4 22.816 4.121 2.424 34 HB2 TYR 4 HB2 TYR 4 21.756 1.691 0.974 35 HB3 TYR 4 HB1 TYR 4 23.400 1.877 1.452 36 HD1 TYR 4 HD1 TYR 4 20.057 2.275 3.043 37 HD2 TYR 4 HD2 TYR 4 24.037 0.707 3.330 38 HE1 TYR 4 HE1 TYR 4 19.501 1.252 5.258 39 HE2 TYR 4 HE2 TYR 4 23.497 -0.266 5.547 40 HH TYR 4 HH TYR 4 21.326 0.547 7.446 41 H GLU 5 HN GLU 5 24.299 5.205 1.245 42 HA GLU 5 HA GLU 5 24.200 5.031 -1.706 43 HB2 GLU 5 HB2 GLU 5 24.854 7.556 -0.168 44 HB3 GLU 5 HB1 GLU 5 24.930 7.363 -1.908 45 HG2 GLU 5 HG2 GLU 5 22.906 8.518 -1.477 46 HG3 GLU 5 HG1 GLU 5 22.424 6.865 -1.816 47 H LYS 6 HN LYS 6 26.483 7.101 -0.095 48 HA LYS 6 HA LYS 6 28.618 5.176 0.098 49 HB2 LYS 6 HB2 LYS 6 28.349 5.534 -2.390 50 HB3 LYS 6 HB1 LYS 6 28.720 7.229 -2.136 51 HG2 LYS 6 HG2 LYS 6 30.577 4.904 -1.536 52 HG3 LYS 6 HG1 LYS 6 30.690 5.961 -2.931 53 HD2 LYS 6 HD2 LYS 6 31.101 7.886 -1.358 54 HD3 LYS 6 HD1 LYS 6 31.141 6.723 -0.033 55 HE2 LYS 6 HE2 LYS 6 33.410 7.183 -0.817 56 HE3 LYS 6 HE1 LYS 6 32.963 5.501 -1.098 57 HZ1 LYS 6 HZ1 LYS 6 32.901 5.788 -3.324 58 HZ2 LYS 6 HZ2 LYS 6 34.008 7.028 -2.974 59 HZ3 LYS 6 HZ3 LYS 6 32.370 7.395 -3.230 60 HAC 4G6 7 HAC 4G6 7 32.268 8.524 4.129 61 HAB 4G6 7 HAB 4G6 7 30.736 9.294 4.611 62 HAA 4G6 7 HAA 4G6 7 31.458 8.030 5.635 63 HAF 4G6 7 HAF 4G6 7 29.319 5.653 4.544 64 HAD 4G6 7 HAD 4G6 7 28.499 7.234 4.569 65 HAE 4G6 7 HAE 4G6 7 29.732 6.848 5.796 66 HAL 4G6 7 HAL 4G6 7 31.866 6.368 2.465 67 HAH 4G6 7 HAH 4G6 7 30.542 8.577 2.110 68 HAG 4G6 7 HAG 4G6 7 29.016 8.583 3.021 69 HAI 4G6 7 HAI 4G6 7 29.209 5.988 2.050 70 HA DPR 8 HA PRO 8 33.301 4.644 2.675 71 HB2 DPR 8 HB2 PRO 8 34.571 3.905 4.449 72 HB3 DPR 8 HB1 PRO 8 33.148 3.603 5.464 73 HG2 DPR 8 HG2 PRO 8 34.498 1.811 3.511 74 HG3 DPR 8 HG1 PRO 8 33.637 1.408 5.007 75 HD2 DPR 8 HD2 PRO 8 32.568 1.010 2.513 76 HD3 DPR 8 HD1 PRO 8 31.573 1.316 3.949 77 H VAL 9 HN VAL 9 28.593 2.888 0.194 78 HA VAL 9 HA VAL 9 30.374 1.181 1.778 79 HB VAL 9 HB VAL 9 30.787 2.683 -0.825 80 HG11 VAL 9 HG11 VAL 9 32.407 0.382 0.295 81 HG12 VAL 9 HG12 VAL 9 32.884 2.071 0.464 82 HG13 VAL 9 HG13 VAL 9 32.760 1.347 -1.134 83 HG21 VAL 9 HG21 VAL 9 30.571 -0.275 -0.852 84 HG22 VAL 9 HG22 VAL 9 29.843 0.907 -1.933 85 HG23 VAL 9 HG23 VAL 9 29.069 0.536 -0.390 86 H GLN 10 HN GLN 10 26.002 0.553 1.228 87 HA GLN 10 HA GLN 10 26.597 3.453 1.026 88 HB2 GLN 10 HB2 GLN 10 24.833 3.138 2.737 89 HB3 GLN 10 HB1 GLN 10 25.859 1.981 3.561 90 HG2 GLN 10 HG2 GLN 10 25.959 4.158 4.658 91 HG3 GLN 10 HG1 GLN 10 27.523 3.720 3.976 92 HE21 GLN 10 HE21 GLN 10 25.377 6.272 4.267 93 HE22 GLN 10 HE22 GLN 10 25.873 7.197 2.933 94 H LYS 11 HN LYS 11 22.484 1.500 -0.669 95 HA LYS 11 HA LYS 11 24.629 -0.289 -0.117 96 HB2 LYS 11 HB2 LYS 11 26.005 0.323 -2.163 97 HB3 LYS 11 HB1 LYS 11 24.733 -0.868 -2.357 98 HG2 LYS 11 HG2 LYS 11 24.829 0.746 -4.236 99 HG3 LYS 11 HG1 LYS 11 23.285 0.788 -3.403 100 HD2 LYS 11 HD2 LYS 11 23.876 2.807 -2.274 101 HD3 LYS 11 HD1 LYS 11 25.530 2.764 -2.892 102 HE2 LYS 11 HE2 LYS 11 22.975 3.046 -4.514 103 HE3 LYS 11 HE1 LYS 11 24.117 4.343 -4.166 104 HZ1 LYS 11 HZ1 LYS 11 24.333 2.132 -6.042 105 HZ2 LYS 11 HZ2 LYS 11 25.755 2.544 -5.207 106 HZ3 LYS 11 HZ3 LYS 11 24.948 3.709 -6.143 107 H PHE 12 HN PHE 12 20.306 -1.847 -2.164 108 HA PHE 12 HA PHE 12 20.439 0.788 -0.857 109 HB2 PHE 12 HB2 PHE 12 20.390 -1.832 0.657 110 HB3 PHE 12 HB1 PHE 12 20.547 -0.228 1.343 111 HD1 PHE 12 HD1 PHE 12 18.222 -2.162 -0.906 112 HD2 PHE 12 HD2 PHE 12 18.621 0.801 2.172 113 HE1 PHE 12 HE1 PHE 12 15.762 -1.923 -0.805 114 HE2 PHE 12 HE2 PHE 12 16.167 1.022 2.286 115 HZ PHE 12 HZ PHE 12 14.742 -0.337 0.798 116 H ILE 13 HN ILE 13 16.412 -0.808 -2.923 117 HA ILE 13 HA ILE 13 18.853 -2.196 -3.663 118 HB ILE 13 HB ILE 13 19.705 -0.390 -5.143 119 HG12 ILE 13 HG12 ILE 13 16.816 0.495 -5.140 120 HG13 ILE 13 HG11 ILE 13 18.159 1.394 -4.428 121 HG21 ILE 13 HG21 ILE 13 18.637 -2.540 -5.979 122 HG22 ILE 13 HG22 ILE 13 18.660 -1.200 -7.122 123 HG23 ILE 13 HG23 ILE 13 17.173 -1.598 -6.267 124 HD11 ILE 13 HD11 ILE 13 17.683 0.770 -7.347 125 HD12 ILE 13 HD12 ILE 13 19.243 1.328 -6.740 126 HD13 ILE 13 HD13 ILE 13 17.817 2.356 -6.585 127 H ARG 14 HN ARG 14 14.488 -2.957 -5.775 128 HA ARG 14 HA ARG 14 14.506 -1.800 -3.114 129 HB2 ARG 14 HB2 ARG 14 14.932 -4.768 -3.519 130 HB3 ARG 14 HB1 ARG 14 15.270 -3.898 -2.044 131 HG2 ARG 14 HG2 ARG 14 12.526 -4.188 -3.262 132 HG3 ARG 14 HG1 ARG 14 13.164 -5.185 -1.974 133 HD2 ARG 14 HD2 ARG 14 13.468 -3.185 -0.563 134 HD3 ARG 14 HD1 ARG 14 12.798 -2.179 -1.833 135 HE ARG 14 HE ARG 14 10.743 -2.822 -1.146 136 HH11 ARG 14 HH21 ARG 14 13.053 -5.169 -0.111 137 HH12 ARG 14 HH22 ARG 14 11.879 -6.192 0.646 138 HH21 ARG 14 HH11 ARG 14 9.196 -4.152 -0.152 139 HH22 ARG 14 HH12 ARG 14 9.699 -5.616 0.624 140 H VAL 15 HN VAL 15 11.469 -4.423 -5.784 141 HA VAL 15 HA VAL 15 12.834 -2.251 -7.122 142 HB VAL 15 HB VAL 15 11.362 -0.441 -6.264 143 HG11 VAL 15 HG11 VAL 15 9.728 -2.290 -8.016 144 HG12 VAL 15 HG12 VAL 15 11.143 -1.420 -8.615 145 HG13 VAL 15 HG13 VAL 15 9.752 -0.531 -8.010 146 HG21 VAL 15 HG21 VAL 15 10.025 -1.186 -4.527 147 HG22 VAL 15 HG22 VAL 15 9.837 -2.798 -5.216 148 HG23 VAL 15 HG23 VAL 15 8.878 -1.455 -5.834 149 H8 4FU 16 HAM 4FU 16 11.505 -7.660 -8.564 150 H9 4FU 16 HAI 4FU 16 12.467 -5.113 -9.920 151 HAI 4FU 16 HAJ 4FU 16 12.841 -6.773 -10.436 152 H112 4FU 16 HAE 4FU 16 10.451 -7.236 -10.774 153 H111 4FU 16 HAF 4FU 16 10.975 -5.842 -11.745 154 HAG 4FU 16 HAG 4FU 16 10.057 -4.299 -10.060 155 H12 4FU 16 HAH 4FU 16 8.809 -5.434 -10.616 156 HAL 4FU 16 HAL 4FU 16 9.160 -6.843 -8.652 157 HAK 4FU 16 HAK 4FU 16 8.781 -5.182 -8.146 158 H14 4FU 16 HAN 4FU 16 10.648 -6.127 -6.835 159 H GLY 17 HN GLY 17 14.125 -7.681 -9.070 160 HA2 GLY 17 HA2 GLY 17 16.149 -7.907 -7.984 161 HA3 GLY 17 HA1 GLY 17 15.906 -6.221 -7.531 162 H VAL 18 HN VAL 18 17.030 -6.851 -5.517 163 HA VAL 18 HA VAL 18 15.080 -7.812 -3.535 164 HB VAL 18 HB VAL 18 16.828 -9.217 -2.463 165 HG11 VAL 18 HG11 VAL 18 16.456 -9.952 -5.380 166 HG12 VAL 18 HG12 VAL 18 15.174 -10.097 -4.178 167 HG13 VAL 18 HG13 VAL 18 16.646 -11.052 -4.014 168 HG21 VAL 18 HG21 VAL 18 18.768 -7.943 -3.489 169 HG22 VAL 18 HG22 VAL 18 18.402 -8.747 -5.013 170 HG23 VAL 18 HG23 VAL 18 18.904 -9.696 -3.615 171 H THR 19 HN THR 19 16.173 -7.566 -1.234 172 HA THR 19 HA THR 19 17.187 -4.781 -1.133 173 HB THR 19 HB THR 19 15.801 -6.457 0.989 174 HG1 THR 19 HG1 THR 19 14.332 -5.995 -0.563 175 HG21 THR 19 HG21 THR 19 15.966 -4.668 2.417 176 HG22 THR 19 HG22 THR 19 15.755 -3.503 1.115 177 HG23 THR 19 HG23 THR 19 17.342 -4.207 1.412 178 H ILE 20 HN ILE 20 19.342 -4.827 -1.058 179 HA ILE 20 HA ILE 20 20.663 -6.337 1.094 180 HB ILE 20 HB ILE 20 21.612 -6.135 -1.777 181 HG12 ILE 20 HG12 ILE 20 20.737 -8.529 -0.120 182 HG13 ILE 20 HG11 ILE 20 19.772 -7.776 -1.386 183 HG21 ILE 20 HG21 ILE 20 23.488 -6.016 -0.274 184 HG22 ILE 20 HG22 ILE 20 23.428 -7.661 -0.895 185 HG23 ILE 20 HG23 ILE 20 22.838 -7.309 0.728 186 HD11 ILE 20 HD11 ILE 20 21.628 -8.250 -3.005 187 HD12 ILE 20 HD12 ILE 20 20.902 -9.707 -2.328 188 HD13 ILE 20 HD13 ILE 20 22.458 -9.135 -1.727 189 H ARG 21 HN ARG 21 22.248 -5.206 2.146 190 HA ARG 21 HA ARG 21 22.725 -2.415 1.267 191 HB2 ARG 21 HB2 ARG 21 23.065 -3.675 4.000 192 HB3 ARG 21 HB1 ARG 21 23.549 -2.040 3.600 193 HG2 ARG 21 HG2 ARG 21 21.422 -2.010 4.744 194 HG3 ARG 21 HG1 ARG 21 21.196 -1.490 3.092 195 HD2 ARG 21 HD2 ARG 21 20.292 -3.695 2.516 196 HD3 ARG 21 HD1 ARG 21 20.581 -4.254 4.161 197 HE ARG 21 HE ARG 21 19.031 -1.882 4.198 198 HH11 ARG 21 HH21 ARG 21 18.904 -5.254 3.432 199 HH12 ARG 21 HH22 ARG 21 17.183 -5.370 3.599 200 HH21 ARG 21 HH11 ARG 21 16.777 -2.021 4.419 201 HH22 ARG 21 HH12 ARG 21 15.977 -3.537 4.162 202 H GLU 22 HN GLU 22 24.695 -1.814 0.632 203 HA GLU 22 HA GLU 22 26.802 -3.760 0.525 204 HB2 GLU 22 HB2 GLU 22 26.417 -2.230 -1.369 205 HB3 GLU 22 HB1 GLU 22 26.811 -0.870 -0.324 206 HG2 GLU 22 HG2 GLU 22 28.743 -1.459 -1.680 207 HG3 GLU 22 HG1 GLU 22 29.069 -1.771 0.019 208 H LYS 23 HN LYS 23 28.867 -3.556 1.484 209 HA LYS 23 HA LYS 23 28.800 -2.554 4.147 210 HB2 LYS 23 HB2 LYS 23 31.092 -3.682 2.529 211 HB3 LYS 23 HB1 LYS 23 31.183 -3.289 4.236 212 HG2 LYS 23 HG2 LYS 23 30.831 -5.683 3.919 213 HG3 LYS 23 HG1 LYS 23 29.435 -4.963 4.706 214 HD2 LYS 23 HD2 LYS 23 28.194 -4.980 2.609 215 HD3 LYS 23 HD1 LYS 23 29.610 -5.577 1.739 216 HE2 LYS 23 HE2 LYS 23 28.186 -6.974 4.005 217 HE3 LYS 23 HE1 LYS 23 28.026 -7.384 2.299 218 HZ1 LYS 23 HZ1 LYS 23 30.225 -7.883 4.139 219 HZ2 LYS 23 HZ2 LYS 23 30.657 -7.449 2.554 220 HZ3 LYS 23 HZ3 LYS 23 29.677 -8.809 2.827 221 HN1 NH2 24 H2 LYS 23 29.983 0.688 3.711 222 HN2 NH2 24 H1 LYS 23 28.876 -0.354 4.459 Start of MODEL 3 1 H1 ACE 0 HA2 ACE 0 11.512 0.674 1.446 2 H2 ACE 0 HA3 ACE 0 13.043 0.785 2.316 3 H3 ACE 0 HA1 ACE 0 12.855 -0.382 1.006 4 H GLU 1 HN GLU 1 11.897 0.880 -1.066 5 HA GLU 1 HA GLU 1 12.438 2.239 -2.827 6 HB2 GLU 1 HB2 GLU 1 13.001 4.223 -0.609 7 HB3 GLU 1 HB1 GLU 1 12.795 4.621 -2.315 8 HG2 GLU 1 HG2 GLU 1 10.513 3.686 -2.262 9 HG3 GLU 1 HG1 GLU 1 10.715 3.288 -0.556 10 H ARG 2 HN ARG 2 14.643 4.387 -1.577 11 HA ARG 2 HA ARG 2 16.948 2.739 -2.468 12 HB2 ARG 2 HB2 ARG 2 16.629 5.751 -2.705 13 HB3 ARG 2 HB1 ARG 2 18.070 4.855 -3.125 14 HG2 ARG 2 HG2 ARG 2 16.900 5.388 -5.164 15 HG3 ARG 2 HG1 ARG 2 16.739 3.662 -4.894 16 HD2 ARG 2 HD2 ARG 2 14.459 3.972 -4.090 17 HD3 ARG 2 HD1 ARG 2 14.618 5.713 -4.187 18 HE ARG 2 HE ARG 2 15.167 4.612 -6.714 19 HH11 ARG 2 HH21 ARG 2 12.577 4.940 -4.440 20 HH12 ARG 2 HH22 ARG 2 11.336 4.970 -5.649 21 HH21 ARG 2 HH11 ARG 2 13.546 4.653 -8.302 22 HH22 ARG 2 HH12 ARG 2 11.885 4.808 -7.835 23 H PHE 3 HN PHE 3 19.039 3.343 -1.526 24 HA PHE 3 HA PHE 3 18.954 4.786 1.026 25 HB2 PHE 3 HB2 PHE 3 18.252 2.433 1.498 26 HB3 PHE 3 HB1 PHE 3 19.752 1.873 0.803 27 HD1 PHE 3 HD2 PHE 3 20.604 4.827 2.566 28 HD2 PHE 3 HD1 PHE 3 19.469 0.735 3.191 29 HE1 PHE 3 HE2 PHE 3 21.632 4.882 4.803 30 HE2 PHE 3 HE1 PHE 3 20.503 0.800 5.437 31 HZ PHE 3 HZ PHE 3 21.588 2.873 6.243 32 H TYR 4 HN TYR 4 20.504 6.250 0.143 33 HA TYR 4 HA TYR 4 23.173 5.107 -0.463 34 HB2 TYR 4 HB2 TYR 4 21.867 7.510 -1.705 35 HB3 TYR 4 HB1 TYR 4 23.585 7.162 -1.851 36 HD1 TYR 4 HD1 TYR 4 20.300 5.320 -2.231 37 HD2 TYR 4 HD2 TYR 4 24.265 6.034 -3.751 38 HE1 TYR 4 HE1 TYR 4 19.853 3.806 -4.151 39 HE2 TYR 4 HE2 TYR 4 23.797 4.541 -5.665 40 HH TYR 4 HH TYR 4 20.636 2.939 -6.030 41 H GLU 5 HN GLU 5 23.648 5.308 1.835 42 HA GLU 5 HA GLU 5 24.526 8.078 2.493 43 HB2 GLU 5 HB2 GLU 5 23.623 6.016 4.515 44 HB3 GLU 5 HB1 GLU 5 24.444 7.507 4.914 45 HG2 GLU 5 HG2 GLU 5 22.090 7.818 5.311 46 HG3 GLU 5 HG1 GLU 5 22.536 8.778 3.915 47 H LYS 6 HN LYS 6 26.337 8.027 4.155 48 HA LYS 6 HA LYS 6 28.310 5.975 3.324 49 HB2 LYS 6 HB2 LYS 6 30.000 7.637 3.948 50 HB3 LYS 6 HB1 LYS 6 28.926 8.270 2.704 51 HG2 LYS 6 HG2 LYS 6 27.584 9.396 4.483 52 HG3 LYS 6 HG1 LYS 6 28.736 8.832 5.684 53 HD2 LYS 6 HD2 LYS 6 29.382 10.681 3.366 54 HD3 LYS 6 HD1 LYS 6 29.169 11.179 5.039 55 HE2 LYS 6 HE2 LYS 6 31.353 9.337 3.995 56 HE3 LYS 6 HE1 LYS 6 31.546 11.000 4.516 57 HZ1 LYS 6 HZ1 LYS 6 30.744 8.699 6.197 58 HZ2 LYS 6 HZ2 LYS 6 30.672 10.316 6.714 59 HZ3 LYS 6 HZ3 LYS 6 32.166 9.615 6.313 60 HAC 4G6 7 HAC 4G6 7 31.895 6.092 8.251 61 HAB 4G6 7 HAB 4G6 7 31.673 6.241 6.491 62 HAA 4G6 7 HAA 4G6 7 30.381 6.761 7.598 63 HAF 4G6 7 HAF 4G6 7 31.704 4.029 9.123 64 HAD 4G6 7 HAD 4G6 7 30.317 2.976 8.757 65 HAE 4G6 7 HAE 4G6 7 30.052 4.578 9.484 66 HAL 4G6 7 HAL 4G6 7 32.163 4.126 6.051 67 HAH 4G6 7 HAH 4G6 7 28.596 5.420 7.704 68 HAG 4G6 7 HAG 4G6 7 28.631 3.758 7.082 69 HAI 4G6 7 HAI 4G6 7 29.389 4.798 4.877 70 HA DPR 8 HA PRO 8 32.720 2.230 5.056 71 HB2 DPR 8 HB2 PRO 8 32.581 0.129 6.041 72 HB3 DPR 8 HB1 PRO 8 30.814 0.055 5.877 73 HG2 DPR 8 HG2 PRO 8 32.931 -0.549 3.873 74 HG3 DPR 8 HG1 PRO 8 31.336 -1.288 4.085 75 HD2 DPR 8 HD2 PRO 8 31.983 0.654 2.151 76 HD3 DPR 8 HD1 PRO 8 30.334 0.222 2.656 77 H VAL 9 HN VAL 9 28.212 3.969 1.723 78 HA VAL 9 HA VAL 9 30.372 2.051 1.217 79 HB VAL 9 HB VAL 9 30.388 5.069 1.447 80 HG11 VAL 9 HG11 VAL 9 32.594 4.271 1.868 81 HG12 VAL 9 HG12 VAL 9 32.573 4.740 0.168 82 HG13 VAL 9 HG13 VAL 9 32.464 3.037 0.614 83 HG21 VAL 9 HG21 VAL 9 29.009 4.124 -0.439 84 HG22 VAL 9 HG22 VAL 9 30.459 3.307 -1.024 85 HG23 VAL 9 HG23 VAL 9 30.396 5.068 -0.985 86 H GLN 10 HN GLN 10 26.130 0.684 0.183 87 HA GLN 10 HA GLN 10 26.215 3.330 1.460 88 HB2 GLN 10 HB2 GLN 10 26.092 2.451 3.710 89 HB3 GLN 10 HB1 GLN 10 24.634 2.012 2.836 90 HG2 GLN 10 HG2 GLN 10 27.001 0.189 3.361 91 HG3 GLN 10 HG1 GLN 10 25.462 0.140 4.197 92 HE21 GLN 10 HE21 GLN 10 24.064 -1.388 3.407 93 HE22 GLN 10 HE22 GLN 10 24.065 -1.996 1.824 94 H LYS 11 HN LYS 11 22.295 1.905 -1.206 95 HA LYS 11 HA LYS 11 24.790 0.334 -1.490 96 HB2 LYS 11 HB2 LYS 11 24.146 1.438 -3.585 97 HB3 LYS 11 HB1 LYS 11 24.071 2.996 -2.775 98 HG2 LYS 11 HG2 LYS 11 26.499 2.718 -2.169 99 HG3 LYS 11 HG1 LYS 11 26.518 1.249 -3.136 100 HD2 LYS 11 HD2 LYS 11 25.888 4.007 -4.211 101 HD3 LYS 11 HD1 LYS 11 27.437 3.194 -4.366 102 HE2 LYS 11 HE2 LYS 11 26.187 2.939 -6.438 103 HE3 LYS 11 HE1 LYS 11 26.314 1.372 -5.650 104 HZ1 LYS 11 HZ1 LYS 11 23.990 2.818 -4.837 105 HZ2 LYS 11 HZ2 LYS 11 24.125 1.240 -5.451 106 HZ3 LYS 11 HZ3 LYS 11 24.024 2.564 -6.512 107 H PHE 12 HN PHE 12 20.041 -1.571 -2.538 108 HA PHE 12 HA PHE 12 20.482 1.032 -1.185 109 HB2 PHE 12 HB2 PHE 12 20.485 -1.783 -0.088 110 HB3 PHE 12 HB1 PHE 12 20.917 -0.360 0.842 111 HD1 PHE 12 HD2 PHE 12 18.355 0.904 -1.202 112 HD2 PHE 12 HD1 PHE 12 18.923 -1.852 2.055 113 HE1 PHE 12 HE2 PHE 12 16.044 1.221 -0.540 114 HE2 PHE 12 HE1 PHE 12 16.558 -1.496 2.714 115 HZ PHE 12 HZ PHE 12 15.130 0.048 1.391 116 H ILE 13 HN ILE 13 16.739 -0.149 -3.750 117 HA ILE 13 HA ILE 13 19.240 -1.466 -4.695 118 HB ILE 13 HB ILE 13 18.185 1.263 -5.485 119 HG12 ILE 13 HG12 ILE 13 16.952 -0.558 -6.586 120 HG13 ILE 13 HG11 ILE 13 17.978 0.282 -7.743 121 HG21 ILE 13 HG21 ILE 13 20.686 -0.245 -6.295 122 HG22 ILE 13 HG22 ILE 13 20.620 1.239 -5.347 123 HG23 ILE 13 HG23 ILE 13 20.130 1.253 -7.039 124 HD11 ILE 13 HD11 ILE 13 18.561 -1.863 -8.305 125 HD12 ILE 13 HD12 ILE 13 18.167 -2.503 -6.715 126 HD13 ILE 13 HD13 ILE 13 19.699 -1.678 -6.974 127 H ARG 14 HN ARG 14 15.631 -4.399 -3.471 128 HA ARG 14 HA ARG 14 14.752 -1.693 -4.317 129 HB2 ARG 14 HB2 ARG 14 15.998 -2.414 -1.648 130 HB3 ARG 14 HB1 ARG 14 15.508 -0.814 -2.167 131 HG2 ARG 14 HG2 ARG 14 13.643 -3.158 -1.749 132 HG3 ARG 14 HG1 ARG 14 13.882 -1.839 -0.612 133 HD2 ARG 14 HD2 ARG 14 13.059 -0.244 -2.338 134 HD3 ARG 14 HD1 ARG 14 12.745 -1.599 -3.412 135 HE ARG 14 HE ARG 14 11.492 -2.123 -0.967 136 HH11 ARG 14 HH21 ARG 14 11.335 0.043 -3.663 137 HH12 ARG 14 HH22 ARG 14 9.628 0.306 -3.529 138 HH21 ARG 14 HH11 ARG 14 9.252 -1.780 -0.786 139 HH22 ARG 14 HH12 ARG 14 8.449 -0.724 -1.901 140 H VAL 15 HN VAL 15 11.577 -5.713 -4.821 141 HA VAL 15 HA VAL 15 14.332 -6.115 -3.831 142 HB VAL 15 HB VAL 15 14.996 -5.864 -6.182 143 HG11 VAL 15 HG11 VAL 15 13.350 -7.819 -7.088 144 HG12 VAL 15 HG12 VAL 15 12.978 -7.915 -5.371 145 HG13 VAL 15 HG13 VAL 15 14.634 -8.132 -5.926 146 HG21 VAL 15 HG21 VAL 15 13.441 -4.303 -7.050 147 HG22 VAL 15 HG22 VAL 15 12.054 -5.260 -6.529 148 HG23 VAL 15 HG23 VAL 15 13.047 -5.808 -7.879 149 H8 4FU 16 HAM 4FU 16 8.837 -7.949 -3.508 150 H9 4FU 16 HAI 4FU 16 10.973 -6.995 -5.454 151 HAI 4FU 16 HAJ 4FU 16 9.516 -7.923 -5.865 152 H112 4FU 16 HAE 4FU 16 8.078 -6.126 -5.035 153 H111 4FU 16 HAF 4FU 16 9.186 -5.515 -6.284 154 HAG 4FU 16 HAG 4FU 16 10.666 -4.583 -4.554 155 H12 4FU 16 HAH 4FU 16 9.009 -3.988 -4.341 156 HAL 4FU 16 HAL 4FU 16 8.576 -5.642 -2.610 157 HAK 4FU 16 HAK 4FU 16 10.016 -4.693 -2.185 158 H14 4FU 16 HAN 4FU 16 10.320 -7.106 -1.764 159 H GLY 17 HN GLY 17 11.240 -8.957 -5.547 160 HA2 GLY 17 HA2 GLY 17 11.522 -11.514 -4.472 161 HA3 GLY 17 HA1 GLY 17 12.681 -10.765 -5.571 162 H VAL 18 HN VAL 18 14.088 -9.031 -4.482 163 HA VAL 18 HA VAL 18 14.526 -9.078 -1.715 164 HB VAL 18 HB VAL 18 15.342 -11.364 -2.089 165 HG11 VAL 18 HG11 VAL 18 15.972 -10.961 -4.495 166 HG12 VAL 18 HG12 VAL 18 17.203 -11.816 -3.566 167 HG13 VAL 18 HG13 VAL 18 17.400 -10.099 -3.920 168 HG21 VAL 18 HG21 VAL 18 16.484 -9.718 -0.474 169 HG22 VAL 18 HG22 VAL 18 17.749 -9.576 -1.695 170 HG23 VAL 18 HG23 VAL 18 17.418 -11.138 -0.946 171 H THR 19 HN THR 19 16.430 -7.867 -1.044 172 HA THR 19 HA THR 19 17.467 -6.089 -3.187 173 HB THR 19 HB THR 19 15.838 -4.898 -1.803 174 HG1 THR 19 HG1 THR 19 18.452 -4.133 -1.050 175 HG21 THR 19 HG21 THR 19 17.654 -5.624 0.511 176 HG22 THR 19 HG22 THR 19 16.035 -6.268 0.238 177 HG23 THR 19 HG23 THR 19 16.253 -4.556 0.593 178 H ILE 20 HN ILE 20 19.534 -5.167 -2.833 179 HA ILE 20 HA ILE 20 21.301 -6.822 -1.139 180 HB ILE 20 HB ILE 20 21.900 -5.255 -3.661 181 HG12 ILE 20 HG12 ILE 20 21.731 -8.244 -3.142 182 HG13 ILE 20 HG11 ILE 20 20.511 -7.297 -3.994 183 HG21 ILE 20 HG21 ILE 20 23.831 -5.330 -2.184 184 HG22 ILE 20 HG22 ILE 20 24.088 -6.473 -3.496 185 HG23 ILE 20 HG23 ILE 20 23.594 -7.053 -1.907 186 HD11 ILE 20 HD11 ILE 20 22.299 -6.615 -5.635 187 HD12 ILE 20 HD12 ILE 20 21.924 -8.338 -5.654 188 HD13 ILE 20 HD13 ILE 20 23.381 -7.762 -4.845 189 H ARG 21 HN ARG 21 22.260 -5.877 0.506 190 HA ARG 21 HA ARG 21 22.397 -2.917 0.657 191 HB2 ARG 21 HB2 ARG 21 20.880 -3.979 2.273 192 HB3 ARG 21 HB1 ARG 21 22.173 -5.047 2.807 193 HG2 ARG 21 HG2 ARG 21 23.450 -3.142 3.615 194 HG3 ARG 21 HG1 ARG 21 22.207 -2.028 3.029 195 HD2 ARG 21 HD2 ARG 21 21.793 -4.202 5.096 196 HD3 ARG 21 HD1 ARG 21 21.978 -2.488 5.457 197 HE ARG 21 HE ARG 21 19.876 -2.782 3.608 198 HH11 ARG 21 HH21 ARG 21 20.719 -3.557 6.872 199 HH12 ARG 21 HH22 ARG 21 19.087 -3.521 7.449 200 HH21 ARG 21 HH11 ARG 21 17.731 -2.733 4.357 201 HH22 ARG 21 HH12 ARG 21 17.395 -3.055 6.025 202 H GLU 22 HN GLU 22 24.481 -2.908 -0.442 203 HA GLU 22 HA GLU 22 26.720 -3.273 1.372 204 HB2 GLU 22 HB2 GLU 22 26.674 -4.867 -1.211 205 HB3 GLU 22 HB1 GLU 22 28.038 -4.726 -0.115 206 HG2 GLU 22 HG2 GLU 22 26.688 -5.817 1.671 207 HG3 GLU 22 HG1 GLU 22 25.380 -6.028 0.510 208 H LYS 23 HN LYS 23 28.841 -2.559 0.266 209 HA LYS 23 HA LYS 23 30.009 -0.895 -0.774 210 HB2 LYS 23 HB2 LYS 23 28.056 -1.559 -2.978 211 HB3 LYS 23 HB1 LYS 23 29.403 -0.453 -3.182 212 HG2 LYS 23 HG2 LYS 23 29.929 -2.712 -4.012 213 HG3 LYS 23 HG1 LYS 23 30.980 -2.252 -2.681 214 HD2 LYS 23 HD2 LYS 23 29.731 -3.615 -1.144 215 HD3 LYS 23 HD1 LYS 23 28.508 -3.977 -2.369 216 HE2 LYS 23 HE2 LYS 23 30.110 -5.828 -2.150 217 HE3 LYS 23 HE1 LYS 23 30.262 -5.059 -3.730 218 HZ1 LYS 23 HZ1 LYS 23 32.238 -4.079 -3.173 219 HZ2 LYS 23 HZ2 LYS 23 32.365 -5.538 -2.312 220 HZ3 LYS 23 HZ3 LYS 23 31.926 -4.108 -1.507 221 HN1 NH2 24 H2 LYS 23 28.601 2.278 -0.526 222 HN2 NH2 24 H1 LYS 23 29.991 1.310 -0.496 Start of MODEL 4 1 H1 ACE 0 HA2 ACE 0 11.155 -2.136 1.420 2 H2 ACE 0 HA3 ACE 0 12.744 -2.079 2.184 3 H3 ACE 0 HA1 ACE 0 12.550 -2.852 0.610 4 H GLU 1 HN GLU 1 12.902 0.149 2.315 5 HA GLU 1 HA GLU 1 12.383 1.867 0.078 6 HB2 GLU 1 HB2 GLU 1 13.313 3.642 1.517 7 HB3 GLU 1 HB1 GLU 1 12.098 2.682 2.361 8 HG2 GLU 1 HG2 GLU 1 13.880 1.351 3.421 9 HG3 GLU 1 HG1 GLU 1 15.099 2.304 2.578 10 H ARG 2 HN ARG 2 14.489 3.659 0.130 11 HA ARG 2 HA ARG 2 16.634 2.098 -1.197 12 HB2 ARG 2 HB2 ARG 2 15.945 5.033 -1.525 13 HB3 ARG 2 HB1 ARG 2 17.196 4.167 -2.390 14 HG2 ARG 2 HG2 ARG 2 15.304 4.456 -3.862 15 HG3 ARG 2 HG1 ARG 2 15.417 2.754 -3.443 16 HD2 ARG 2 HD2 ARG 2 13.585 2.976 -1.859 17 HD3 ARG 2 HD1 ARG 2 13.549 4.719 -2.078 18 HE ARG 2 HE ARG 2 12.244 4.326 -3.941 19 HH11 ARG 2 HH21 ARG 2 14.064 1.496 -3.150 20 HH12 ARG 2 HH22 ARG 2 13.467 0.574 -4.489 21 HH21 ARG 2 HH11 ARG 2 11.457 3.126 -5.692 22 HH22 ARG 2 HH12 ARG 2 11.993 1.495 -5.927 23 H PHE 3 HN PHE 3 18.809 2.589 -0.745 24 HA PHE 3 HA PHE 3 19.412 4.722 1.147 25 HB2 PHE 3 HB2 PHE 3 18.936 2.716 2.569 26 HB3 PHE 3 HB1 PHE 3 20.226 1.857 1.745 27 HD1 PHE 3 HD2 PHE 3 21.353 5.255 2.010 28 HD2 PHE 3 HD1 PHE 3 20.690 1.716 4.381 29 HE1 PHE 3 HE2 PHE 3 22.908 6.095 3.701 30 HE2 PHE 3 HE1 PHE 3 22.266 2.590 6.080 31 HZ PHE 3 HZ PHE 3 23.377 4.774 5.738 32 H TYR 4 HN TYR 4 20.844 5.777 -0.034 33 HA TYR 4 HA TYR 4 22.438 4.598 -2.086 34 HB2 TYR 4 HB2 TYR 4 21.541 6.844 -2.277 35 HB3 TYR 4 HB1 TYR 4 22.470 7.362 -0.876 36 HD1 TYR 4 HD1 TYR 4 23.066 5.565 -4.133 37 HD2 TYR 4 HD2 TYR 4 24.475 8.479 -1.314 38 HE1 TYR 4 HE1 TYR 4 24.978 6.091 -5.624 39 HE2 TYR 4 HE2 TYR 4 26.389 8.993 -2.797 40 HH TYR 4 HH TYR 4 26.533 8.315 -5.907 41 H GLU 5 HN GLU 5 24.676 4.984 -2.356 42 HA GLU 5 HA GLU 5 26.397 3.729 -0.632 43 HB2 GLU 5 HB2 GLU 5 26.987 5.821 -2.724 44 HB3 GLU 5 HB1 GLU 5 28.209 4.827 -1.954 45 HG2 GLU 5 HG2 GLU 5 27.609 3.936 -4.155 46 HG3 GLU 5 HG1 GLU 5 27.180 2.813 -2.896 47 H LYS 6 HN LYS 6 24.928 6.247 0.633 48 HA LYS 6 HA LYS 6 27.366 7.670 1.530 49 HB2 LYS 6 HB2 LYS 6 25.830 9.408 2.306 50 HB3 LYS 6 HB1 LYS 6 25.671 9.118 0.578 51 HG2 LYS 6 HG2 LYS 6 23.719 7.620 1.068 52 HG3 LYS 6 HG1 LYS 6 23.839 8.073 2.759 53 HD2 LYS 6 HD2 LYS 6 23.311 9.991 0.473 54 HD3 LYS 6 HD1 LYS 6 22.102 9.389 1.600 55 HE2 LYS 6 HE2 LYS 6 24.495 11.124 2.310 56 HE3 LYS 6 HE1 LYS 6 22.816 11.626 2.259 57 HZ1 LYS 6 HZ1 LYS 6 23.038 11.150 4.456 58 HZ2 LYS 6 HZ2 LYS 6 24.159 9.898 4.204 59 HZ3 LYS 6 HZ3 LYS 6 22.510 9.641 3.887 60 HAC 4G6 7 HAC 4G6 7 27.850 8.871 6.406 61 HAB 4G6 7 HAB 4G6 7 29.627 8.812 6.484 62 HAA 4G6 7 HAA 4G6 7 28.806 8.859 4.905 63 HAF 4G6 7 HAF 4G6 7 29.752 6.312 7.673 64 HAD 4G6 7 HAD 4G6 7 28.190 5.497 7.412 65 HAE 4G6 7 HAE 4G6 7 28.233 7.178 8.001 66 HAL 4G6 7 HAL 4G6 7 30.291 7.014 4.479 67 HAH 4G6 7 HAH 4G6 7 26.547 6.946 5.798 68 HAG 4G6 7 HAG 4G6 7 27.323 5.436 5.271 69 HAI 4G6 7 HAI 4G6 7 28.166 7.358 3.430 70 HA DPR 8 HA PRO 8 31.903 5.683 3.977 71 HB2 DPR 8 HB2 PRO 8 33.358 4.717 5.491 72 HB3 DPR 8 HB1 PRO 8 32.117 3.627 6.140 73 HG2 DPR 8 HG2 PRO 8 33.901 3.280 3.781 74 HG3 DPR 8 HG1 PRO 8 33.272 2.068 4.908 75 HD2 DPR 8 HD2 PRO 8 32.274 2.437 2.366 76 HD3 DPR 8 HD1 PRO 8 31.310 1.779 3.701 77 H VAL 9 HN VAL 9 27.627 3.705 1.896 78 HA VAL 9 HA VAL 9 30.053 2.105 1.716 79 HB VAL 9 HB VAL 9 29.678 4.528 -0.076 80 HG11 VAL 9 HG11 VAL 9 31.993 2.604 0.065 81 HG12 VAL 9 HG12 VAL 9 31.977 4.185 0.850 82 HG13 VAL 9 HG13 VAL 9 31.882 4.070 -0.905 83 HG21 VAL 9 HG21 VAL 9 28.461 2.692 -1.022 84 HG22 VAL 9 HG22 VAL 9 29.790 1.579 -0.705 85 HG23 VAL 9 HG23 VAL 9 29.967 2.847 -1.918 86 H GLN 10 HN GLN 10 25.443 -0.150 0.705 87 HA GLN 10 HA GLN 10 25.611 2.769 1.224 88 HB2 GLN 10 HB2 GLN 10 26.165 0.396 3.007 89 HB3 GLN 10 HB1 GLN 10 26.137 2.089 3.500 90 HG2 GLN 10 HG2 GLN 10 23.768 2.253 2.865 91 HG3 GLN 10 HG1 GLN 10 23.787 0.574 2.326 92 HE21 GLN 10 HE21 GLN 10 25.824 0.693 4.964 93 HE22 GLN 10 HE22 GLN 10 24.716 0.277 6.181 94 H LYS 11 HN LYS 11 21.994 0.827 -1.459 95 HA LYS 11 HA LYS 11 24.371 -0.879 -1.022 96 HB2 LYS 11 HB2 LYS 11 23.607 -0.483 -3.391 97 HB3 LYS 11 HB1 LYS 11 23.854 1.228 -3.135 98 HG2 LYS 11 HG2 LYS 11 25.794 0.313 -4.291 99 HG3 LYS 11 HG1 LYS 11 26.236 0.840 -2.683 100 HD2 LYS 11 HD2 LYS 11 27.319 -1.287 -3.253 101 HD3 LYS 11 HD1 LYS 11 26.252 -1.483 -1.884 102 HE2 LYS 11 HE2 LYS 11 24.525 -2.460 -3.360 103 HE3 LYS 11 HE1 LYS 11 25.571 -2.200 -4.756 104 HZ1 LYS 11 HZ1 LYS 11 25.643 -4.478 -3.836 105 HZ2 LYS 11 HZ2 LYS 11 26.286 -3.851 -2.394 106 HZ3 LYS 11 HZ3 LYS 11 27.158 -3.714 -3.846 107 H PHE 12 HN PHE 12 20.000 -2.285 -1.298 108 HA PHE 12 HA PHE 12 20.207 0.426 -0.110 109 HB2 PHE 12 HB2 PHE 12 20.358 -2.178 1.421 110 HB3 PHE 12 HB1 PHE 12 20.690 -0.589 2.086 111 HD1 PHE 12 HD1 PHE 12 17.993 -2.396 0.164 112 HD2 PHE 12 HD2 PHE 12 18.950 0.490 3.202 113 HE1 PHE 12 HE1 PHE 12 15.585 -2.069 0.614 114 HE2 PHE 12 HE2 PHE 12 16.536 0.802 3.659 115 HZ PHE 12 HZ PHE 12 14.860 -0.475 2.361 116 H ILE 13 HN ILE 13 16.117 -1.167 -1.957 117 HA ILE 13 HA ILE 13 18.468 -2.678 -2.710 118 HB ILE 13 HB ILE 13 19.367 -1.014 -4.290 119 HG12 ILE 13 HG12 ILE 13 18.024 0.944 -3.690 120 HG13 ILE 13 HG11 ILE 13 17.844 0.580 -5.396 121 HG21 ILE 13 HG21 ILE 13 18.190 -3.109 -5.025 122 HG22 ILE 13 HG22 ILE 13 18.214 -1.814 -6.220 123 HG23 ILE 13 HG23 ILE 13 16.748 -2.131 -5.297 124 HD11 ILE 13 HD11 ILE 13 15.747 -0.824 -4.515 125 HD12 ILE 13 HD12 ILE 13 15.639 0.898 -4.846 126 HD13 ILE 13 HD13 ILE 13 15.847 0.335 -3.189 127 H ARG 14 HN ARG 14 13.967 -2.690 -4.641 128 HA ARG 14 HA ARG 14 14.187 -2.295 -1.813 129 HB2 ARG 14 HB2 ARG 14 13.016 -4.478 -2.036 130 HB3 ARG 14 HB1 ARG 14 14.376 -5.025 -3.005 131 HG2 ARG 14 HG2 ARG 14 15.877 -4.777 -1.156 132 HG3 ARG 14 HG1 ARG 14 14.609 -4.043 -0.181 133 HD2 ARG 14 HD2 ARG 14 14.809 -6.369 0.469 134 HD3 ARG 14 HD1 ARG 14 13.287 -6.102 -0.372 135 HE ARG 14 HE ARG 14 15.436 -7.821 -1.225 136 HH11 ARG 14 HH21 ARG 14 12.519 -6.180 -2.099 137 HH12 ARG 14 HH22 ARG 14 12.418 -6.916 -3.663 138 HH21 ARG 14 HH11 ARG 14 15.297 -8.802 -3.252 139 HH22 ARG 14 HH12 ARG 14 13.988 -8.402 -4.315 140 H VAL 15 HN VAL 15 11.197 -4.471 -4.801 141 HA VAL 15 HA VAL 15 11.983 -1.790 -5.555 142 HB VAL 15 HB VAL 15 9.641 -2.049 -3.622 143 HG11 VAL 15 HG11 VAL 15 11.446 0.240 -4.403 144 HG12 VAL 15 HG12 VAL 15 11.093 -0.364 -2.786 145 HG13 VAL 15 HG13 VAL 15 9.859 0.515 -3.688 146 HG21 VAL 15 HG21 VAL 15 8.578 -0.389 -5.259 147 HG22 VAL 15 HG22 VAL 15 8.699 -2.041 -5.834 148 HG23 VAL 15 HG23 VAL 15 9.852 -0.821 -6.391 149 H8 4FU 16 HAM 4FU 16 10.982 -6.165 -5.344 150 H9 4FU 16 HAI 4FU 16 11.254 -8.339 -6.473 151 HAI 4FU 16 HAJ 4FU 16 9.569 -7.779 -6.552 152 H112 4FU 16 HAE 4FU 16 10.279 -8.657 -8.731 153 H111 4FU 16 HAF 4FU 16 11.642 -7.516 -8.761 154 HAG 4FU 16 HAG 4FU 16 9.757 -6.654 -10.098 155 H12 4FU 16 HAH 4FU 16 8.688 -6.797 -8.684 156 HAL 4FU 16 HAL 4FU 16 9.482 -4.483 -8.968 157 HAK 4FU 16 HAK 4FU 16 11.170 -5.037 -8.876 158 H14 4FU 16 HAN 4FU 16 9.071 -5.376 -6.703 159 H GLY 17 HN GLY 17 12.496 -4.111 -6.131 160 HA2 GLY 17 HA2 GLY 17 14.427 -4.233 -8.047 161 HA3 GLY 17 HA1 GLY 17 14.754 -3.650 -6.411 162 H VAL 18 HN VAL 18 15.545 -5.128 -4.827 163 HA VAL 18 HA VAL 18 15.905 -7.833 -5.345 164 HB VAL 18 HB VAL 18 17.550 -7.149 -7.023 165 HG11 VAL 18 HG11 VAL 18 18.637 -5.496 -4.748 166 HG12 VAL 18 HG12 VAL 18 18.266 -5.003 -6.397 167 HG13 VAL 18 HG13 VAL 18 19.684 -5.998 -6.073 168 HG21 VAL 18 HG21 VAL 18 17.959 -9.135 -5.414 169 HG22 VAL 18 HG22 VAL 18 19.160 -8.092 -4.651 170 HG23 VAL 18 HG23 VAL 18 19.331 -8.541 -6.346 171 H THR 19 HN THR 19 17.407 -8.912 -3.734 172 HA THR 19 HA THR 19 17.321 -7.413 -1.174 173 HB THR 19 HB THR 19 15.953 -9.480 -1.232 174 HG1 THR 19 HG1 THR 19 17.989 -8.930 0.447 175 HG21 THR 19 HG21 THR 19 17.950 -10.562 -2.807 176 HG22 THR 19 HG22 THR 19 16.719 -11.509 -1.977 177 HG23 THR 19 HG23 THR 19 18.298 -11.278 -1.236 178 H ILE 20 HN ILE 20 19.340 -6.382 -1.429 179 HA ILE 20 HA ILE 20 21.580 -7.935 -0.548 180 HB ILE 20 HB ILE 20 21.626 -8.502 -2.951 181 HG12 ILE 20 HG12 ILE 20 23.939 -7.757 -3.431 182 HG13 ILE 20 HG11 ILE 20 23.829 -6.568 -2.139 183 HG21 ILE 20 HG21 ILE 20 21.825 -6.832 -4.644 184 HG22 ILE 20 HG22 ILE 20 22.087 -5.557 -3.454 185 HG23 ILE 20 HG23 ILE 20 20.499 -6.309 -3.605 186 HD11 ILE 20 HD11 ILE 20 24.934 -8.921 -1.681 187 HD12 ILE 20 HD12 ILE 20 23.262 -9.453 -1.508 188 HD13 ILE 20 HD13 ILE 20 23.899 -8.185 -0.461 189 H ARG 21 HN ARG 21 23.317 -6.620 0.167 190 HA ARG 21 HA ARG 21 23.231 -3.767 -0.310 191 HB2 ARG 21 HB2 ARG 21 22.972 -3.137 2.041 192 HB3 ARG 21 HB1 ARG 21 21.575 -4.052 1.489 193 HG2 ARG 21 HG2 ARG 21 22.490 -6.092 2.510 194 HG3 ARG 21 HG1 ARG 21 23.888 -5.179 3.078 195 HD2 ARG 21 HD2 ARG 21 20.996 -4.652 3.822 196 HD3 ARG 21 HD1 ARG 21 22.217 -5.366 4.870 197 HE ARG 21 HE ARG 21 21.831 -2.583 4.398 198 HH11 ARG 21 HH21 ARG 21 24.272 -5.004 4.844 199 HH12 ARG 21 HH22 ARG 21 25.457 -3.886 5.434 200 HH21 ARG 21 HH11 ARG 21 23.381 -1.129 5.175 201 HH22 ARG 21 HH12 ARG 21 24.953 -1.699 5.623 202 H GLU 22 HN GLU 22 25.095 -2.631 0.582 203 HA GLU 22 HA GLU 22 27.177 -4.182 1.792 204 HB2 GLU 22 HB2 GLU 22 27.415 -4.937 -0.498 205 HB3 GLU 22 HB1 GLU 22 27.455 -3.279 -1.070 206 HG2 GLU 22 HG2 GLU 22 29.708 -4.218 -1.000 207 HG3 GLU 22 HG1 GLU 22 29.556 -2.901 0.146 208 H LYS 23 HN LYS 23 29.061 -2.974 2.361 209 HA LYS 23 HA LYS 23 28.489 -0.177 2.877 210 HB2 LYS 23 HB2 LYS 23 30.728 -1.963 3.865 211 HB3 LYS 23 HB1 LYS 23 30.476 -0.299 4.354 212 HG2 LYS 23 HG2 LYS 23 29.636 -1.785 6.075 213 HG3 LYS 23 HG1 LYS 23 28.280 -0.959 5.321 214 HD2 LYS 23 HD2 LYS 23 27.743 -2.939 4.016 215 HD3 LYS 23 HD1 LYS 23 29.186 -3.765 4.603 216 HE2 LYS 23 HE2 LYS 23 28.295 -3.609 6.896 217 HE3 LYS 23 HE1 LYS 23 26.855 -2.801 6.274 218 HZ1 LYS 23 HZ1 LYS 23 26.022 -4.835 6.028 219 HZ2 LYS 23 HZ2 LYS 23 27.531 -5.581 6.259 220 HZ3 LYS 23 HZ3 LYS 23 27.087 -5.016 4.720 221 HN1 NH2 24 H2 LYS 23 30.591 -0.176 -0.247 222 HN2 NH2 24 H1 LYS 23 29.156 -0.985 0.133 Start of MODEL 5 1 H1 ACE 0 HA2 ACE 0 10.382 -0.828 1.471 2 H2 ACE 0 HA3 ACE 0 11.774 -1.466 0.597 3 H3 ACE 0 HA1 ACE 0 10.163 -1.572 -0.112 4 H GLU 1 HN GLU 1 13.010 0.227 0.029 5 HA GLU 1 HA GLU 1 11.986 2.188 -1.799 6 HB2 GLU 1 HB2 GLU 1 12.515 4.160 -0.379 7 HB3 GLU 1 HB1 GLU 1 11.181 3.196 0.244 8 HG2 GLU 1 HG2 GLU 1 12.707 2.078 1.824 9 HG3 GLU 1 HG1 GLU 1 14.053 3.035 1.219 10 H ARG 2 HN ARG 2 14.257 3.958 -0.490 11 HA ARG 2 HA ARG 2 16.542 2.573 -1.773 12 HB2 ARG 2 HB2 ARG 2 15.771 5.496 -1.963 13 HB3 ARG 2 HB1 ARG 2 17.243 4.793 -2.616 14 HG2 ARG 2 HG2 ARG 2 15.904 3.303 -4.055 15 HG3 ARG 2 HG1 ARG 2 14.427 3.998 -3.393 16 HD2 ARG 2 HD2 ARG 2 15.084 6.217 -4.249 17 HD3 ARG 2 HD1 ARG 2 16.568 5.530 -4.899 18 HE ARG 2 HE ARG 2 15.331 4.842 -6.720 19 HH11 ARG 2 HH21 ARG 2 13.249 5.260 -3.978 20 HH12 ARG 2 HH22 ARG 2 11.811 4.826 -4.839 21 HH21 ARG 2 HH11 ARG 2 13.447 4.276 -7.841 22 HH22 ARG 2 HH12 ARG 2 11.922 4.271 -7.020 23 H PHE 3 HN PHE 3 18.607 3.032 -0.922 24 HA PHE 3 HA PHE 3 18.793 4.694 1.491 25 HB2 PHE 3 HB2 PHE 3 18.148 2.430 2.270 26 HB3 PHE 3 HB1 PHE 3 19.527 1.757 1.429 27 HD1 PHE 3 HD2 PHE 3 20.622 4.898 2.811 28 HD2 PHE 3 HD1 PHE 3 19.628 0.850 3.910 29 HE1 PHE 3 HE2 PHE 3 21.985 5.107 4.841 30 HE2 PHE 3 HE1 PHE 3 20.992 1.089 5.957 31 HZ PHE 3 HZ PHE 3 22.187 3.207 6.417 32 H TYR 4 HN TYR 4 20.398 6.018 0.828 33 HA TYR 4 HA TYR 4 22.908 4.825 -0.219 34 HB2 TYR 4 HB2 TYR 4 21.702 7.533 -0.816 35 HB3 TYR 4 HB1 TYR 4 23.361 7.097 -1.204 36 HD1 TYR 4 HD1 TYR 4 19.910 5.578 -1.614 37 HD2 TYR 4 HD2 TYR 4 23.747 6.406 -3.375 38 HE1 TYR 4 HE1 TYR 4 19.184 4.526 -3.744 39 HE2 TYR 4 HE2 TYR 4 23.002 5.363 -5.489 40 HH TYR 4 HH TYR 4 21.413 4.008 -6.405 41 H GLU 5 HN GLU 5 24.716 5.190 0.917 42 HA GLU 5 HA GLU 5 24.693 7.298 2.983 43 HB2 GLU 5 HB2 GLU 5 24.179 5.150 4.057 44 HB3 GLU 5 HB1 GLU 5 25.607 4.441 3.317 45 HG2 GLU 5 HG2 GLU 5 26.056 5.027 5.650 46 HG3 GLU 5 HG1 GLU 5 27.042 5.993 4.570 47 H LYS 6 HN LYS 6 26.491 8.484 3.022 48 HA LYS 6 HA LYS 6 28.867 7.535 1.526 49 HB2 LYS 6 HB2 LYS 6 29.404 9.818 0.977 50 HB3 LYS 6 HB1 LYS 6 27.784 9.474 0.421 51 HG2 LYS 6 HG2 LYS 6 28.571 11.063 2.888 52 HG3 LYS 6 HG1 LYS 6 27.881 11.702 1.415 53 HD2 LYS 6 HD2 LYS 6 26.478 9.952 3.454 54 HD3 LYS 6 HD1 LYS 6 26.181 11.638 3.121 55 HE2 LYS 6 HE2 LYS 6 25.686 9.378 1.161 56 HE3 LYS 6 HE1 LYS 6 24.464 10.269 2.053 57 HZ1 LYS 6 HZ1 LYS 6 24.624 11.229 -0.091 58 HZ2 LYS 6 HZ2 LYS 6 26.315 11.352 0.008 59 HZ3 LYS 6 HZ3 LYS 6 25.330 12.321 0.997 60 HAC 4G6 7 HAC 4G6 7 32.173 6.020 7.249 61 HAB 4G6 7 HAB 4G6 7 32.519 7.693 6.749 62 HAA 4G6 7 HAA 4G6 7 30.993 7.310 7.578 63 HAF 4G6 7 HAF 4G6 7 29.439 5.641 6.477 64 HAD 4G6 7 HAD 4G6 7 29.129 6.130 4.789 65 HAE 4G6 7 HAE 4G6 7 29.101 7.343 6.092 66 HAL 4G6 7 HAL 4G6 7 32.454 5.714 4.213 67 HAH 4G6 7 HAH 4G6 7 32.247 8.025 4.328 68 HAG 4G6 7 HAG 4G6 7 30.923 8.801 5.226 69 HAI 4G6 7 HAI 4G6 7 30.609 7.201 2.710 70 HA DPR 8 HA PRO 8 33.035 3.712 3.863 71 HB2 DPR 8 HB2 PRO 8 33.409 2.189 5.588 72 HB3 DPR 8 HB1 PRO 8 31.679 1.831 5.782 73 HG2 DPR 8 HG2 PRO 8 33.611 0.807 3.755 74 HG3 DPR 8 HG1 PRO 8 32.240 -0.015 4.519 75 HD2 DPR 8 HD2 PRO 8 32.223 1.152 1.942 76 HD3 DPR 8 HD1 PRO 8 30.786 0.675 2.870 77 H VAL 9 HN VAL 9 27.660 3.297 1.334 78 HA VAL 9 HA VAL 9 30.179 1.832 0.957 79 HB VAL 9 HB VAL 9 29.391 4.660 0.228 80 HG11 VAL 9 HG11 VAL 9 31.775 4.555 0.422 81 HG12 VAL 9 HG12 VAL 9 31.411 4.409 -1.297 82 HG13 VAL 9 HG13 VAL 9 31.835 2.976 -0.360 83 HG21 VAL 9 HG21 VAL 9 29.737 2.267 -1.592 84 HG22 VAL 9 HG22 VAL 9 29.013 3.829 -1.978 85 HG23 VAL 9 HG23 VAL 9 28.174 2.710 -0.905 86 H GLN 10 HN GLN 10 25.894 -0.277 0.764 87 HA GLN 10 HA GLN 10 25.931 2.216 2.396 88 HB2 GLN 10 HB2 GLN 10 25.044 0.145 3.477 89 HB3 GLN 10 HB1 GLN 10 26.568 -0.664 3.140 90 HG2 GLN 10 HG2 GLN 10 26.582 0.102 5.436 91 HG3 GLN 10 HG1 GLN 10 27.736 1.059 4.518 92 HE21 GLN 10 HE21 GLN 10 24.556 1.978 3.704 93 HE22 GLN 10 HE22 GLN 10 24.433 3.323 4.732 94 H LYS 11 HN LYS 11 22.428 1.577 -1.032 95 HA LYS 11 HA LYS 11 24.661 -0.358 -0.950 96 HB2 LYS 11 HB2 LYS 11 25.911 1.208 -2.410 97 HB3 LYS 11 HB1 LYS 11 24.429 0.618 -3.137 98 HG2 LYS 11 HG2 LYS 11 23.287 2.703 -2.601 99 HG3 LYS 11 HG1 LYS 11 24.710 3.292 -1.757 100 HD2 LYS 11 HD2 LYS 11 24.594 4.298 -3.983 101 HD3 LYS 11 HD1 LYS 11 25.994 3.256 -3.862 102 HE2 LYS 11 HE2 LYS 11 23.368 2.455 -5.151 103 HE3 LYS 11 HE1 LYS 11 24.778 3.030 -6.033 104 HZ1 LYS 11 HZ1 LYS 11 24.231 0.442 -4.976 105 HZ2 LYS 11 HZ2 LYS 11 25.730 1.031 -4.434 106 HZ3 LYS 11 HZ3 LYS 11 25.408 0.923 -6.099 107 H PHE 12 HN PHE 12 19.926 -1.590 -2.042 108 HA PHE 12 HA PHE 12 20.474 0.885 -0.493 109 HB2 PHE 12 HB2 PHE 12 20.292 -1.989 0.441 110 HB3 PHE 12 HB1 PHE 12 20.711 -0.618 1.453 111 HD1 PHE 12 HD2 PHE 12 18.273 0.803 -0.603 112 HD2 PHE 12 HD1 PHE 12 18.665 -2.143 2.505 113 HE1 PHE 12 HE2 PHE 12 15.934 1.113 -0.011 114 HE2 PHE 12 HE1 PHE 12 16.286 -1.799 3.098 115 HZ PHE 12 HZ PHE 12 14.918 -0.166 1.824 116 H ILE 13 HN ILE 13 16.769 -0.184 -3.132 117 HA ILE 13 HA ILE 13 19.276 -1.345 -4.143 118 HB ILE 13 HB ILE 13 19.881 0.739 -5.351 119 HG12 ILE 13 HG12 ILE 13 16.948 1.428 -4.972 120 HG13 ILE 13 HG11 ILE 13 18.289 2.302 -4.246 121 HG21 ILE 13 HG21 ILE 13 17.311 -0.468 -6.392 122 HG22 ILE 13 HG22 ILE 13 18.856 -1.318 -6.431 123 HG23 ILE 13 HG23 ILE 13 18.652 0.183 -7.332 124 HD11 ILE 13 HD11 ILE 13 17.769 3.553 -6.179 125 HD12 ILE 13 HD12 ILE 13 17.564 2.102 -7.161 126 HD13 ILE 13 HD13 ILE 13 19.176 2.598 -6.643 127 H ARG 14 HN ARG 14 15.272 -4.257 -4.241 128 HA ARG 14 HA ARG 14 14.725 -1.336 -4.293 129 HB2 ARG 14 HB2 ARG 14 15.885 -3.054 -2.109 130 HB3 ARG 14 HB1 ARG 14 15.494 -1.363 -1.967 131 HG2 ARG 14 HG2 ARG 14 13.497 -3.605 -2.396 132 HG3 ARG 14 HG1 ARG 14 13.822 -2.815 -0.860 133 HD2 ARG 14 HD2 ARG 14 11.856 -1.792 -1.752 134 HD3 ARG 14 HD1 ARG 14 13.169 -0.641 -1.933 135 HE ARG 14 HE ARG 14 12.798 -0.714 -4.181 136 HH11 ARG 14 HH21 ARG 14 11.706 -3.652 -2.711 137 HH12 ARG 14 HH22 ARG 14 11.042 -4.303 -4.172 138 HH21 ARG 14 HH11 ARG 14 11.862 -1.546 -6.098 139 HH22 ARG 14 HH12 ARG 14 11.128 -3.115 -6.082 140 H VAL 15 HN VAL 15 11.906 -4.483 -5.733 141 HA VAL 15 HA VAL 15 14.503 -5.522 -5.808 142 HB VAL 15 HB VAL 15 14.199 -5.750 -8.229 143 HG11 VAL 15 HG11 VAL 15 13.940 -2.766 -8.527 144 HG12 VAL 15 HG12 VAL 15 12.492 -3.718 -8.198 145 HG13 VAL 15 HG13 VAL 15 13.456 -4.047 -9.636 146 HG21 VAL 15 HG21 VAL 15 15.942 -3.338 -7.687 147 HG22 VAL 15 HG22 VAL 15 16.183 -4.596 -8.900 148 HG23 VAL 15 HG23 VAL 15 16.389 -4.970 -7.189 149 H8 4FU 16 HAM 4FU 16 9.094 -8.080 -6.514 150 H9 4FU 16 HAI 4FU 16 11.532 -8.214 -8.330 151 HAI 4FU 16 HAJ 4FU 16 10.168 -9.350 -8.308 152 H112 4FU 16 HAE 4FU 16 8.613 -7.558 -8.918 153 H111 4FU 16 HAF 4FU 16 9.924 -7.689 -10.113 154 HAG 4FU 16 HAG 4FU 16 11.112 -5.816 -9.018 155 H12 4FU 16 HAH 4FU 16 9.475 -5.334 -9.518 156 HAL 4FU 16 HAL 4FU 16 8.653 -5.741 -7.232 157 HAK 4FU 16 HAK 4FU 16 9.973 -4.549 -7.223 158 H14 4FU 16 HAN 4FU 16 10.250 -6.211 -5.421 159 H GLY 17 HN GLY 17 12.552 -8.791 -6.909 160 HA2 GLY 17 HA2 GLY 17 12.627 -10.949 -5.166 161 HA3 GLY 17 HA1 GLY 17 14.027 -9.954 -5.567 162 H VAL 18 HN VAL 18 14.822 -8.534 -4.056 163 HA VAL 18 HA VAL 18 13.173 -7.759 -1.782 164 HB VAL 18 HB VAL 18 15.766 -9.284 -1.377 165 HG11 VAL 18 HG11 VAL 18 14.714 -9.137 1.092 166 HG12 VAL 18 HG12 VAL 18 14.002 -7.664 0.438 167 HG13 VAL 18 HG13 VAL 18 15.752 -7.861 0.469 168 HG21 VAL 18 HG21 VAL 18 14.036 -10.857 -1.929 169 HG22 VAL 18 HG22 VAL 18 12.864 -10.018 -0.911 170 HG23 VAL 18 HG23 VAL 18 14.205 -10.892 -0.174 171 H THR 19 HN THR 19 16.491 -7.649 -1.156 172 HA THR 19 HA THR 19 16.901 -5.057 -2.448 173 HB THR 19 HB THR 19 17.024 -5.378 0.569 174 HG1 THR 19 HG1 THR 19 14.956 -5.066 0.256 175 HG21 THR 19 HG21 THR 19 16.995 -2.671 -0.087 176 HG22 THR 19 HG22 THR 19 18.062 -3.346 -1.314 177 HG23 THR 19 HG23 THR 19 18.432 -3.575 0.398 178 H ILE 20 HN ILE 20 19.089 -4.353 -2.428 179 HA ILE 20 HA ILE 20 21.018 -6.551 -1.924 180 HB ILE 20 HB ILE 20 20.803 -5.851 -4.277 181 HG12 ILE 20 HG12 ILE 20 23.408 -4.928 -3.009 182 HG13 ILE 20 HG11 ILE 20 23.008 -6.600 -3.407 183 HG21 ILE 20 HG21 ILE 20 20.147 -3.464 -3.628 184 HG22 ILE 20 HG22 ILE 20 21.258 -3.621 -4.989 185 HG23 ILE 20 HG23 ILE 20 21.868 -3.160 -3.400 186 HD11 ILE 20 HD11 ILE 20 24.338 -5.702 -5.218 187 HD12 ILE 20 HD12 ILE 20 23.293 -4.285 -5.341 188 HD13 ILE 20 HD13 ILE 20 22.681 -5.875 -5.795 189 H ARG 21 HN ARG 21 22.653 -6.263 -0.584 190 HA ARG 21 HA ARG 21 23.096 -3.631 0.667 191 HB2 ARG 21 HB2 ARG 21 23.412 -6.437 1.765 192 HB3 ARG 21 HB1 ARG 21 23.850 -4.998 2.658 193 HG2 ARG 21 HG2 ARG 21 21.070 -5.359 1.570 194 HG3 ARG 21 HG1 ARG 21 21.530 -6.116 3.078 195 HD2 ARG 21 HD2 ARG 21 20.307 -3.964 3.363 196 HD3 ARG 21 HD1 ARG 21 21.865 -3.992 4.144 197 HE ARG 21 HE ARG 21 20.983 -2.195 2.084 198 HH11 ARG 21 HH21 ARG 21 23.699 -3.556 3.743 199 HH12 ARG 21 HH22 ARG 21 24.831 -2.411 3.104 200 HH21 ARG 21 HH11 ARG 21 22.471 -0.681 1.274 201 HH22 ARG 21 HH12 ARG 21 24.140 -0.795 1.713 202 H GLU 22 HN GLU 22 25.118 -2.741 0.324 203 HA GLU 22 HA GLU 22 27.370 -4.599 0.118 204 HB2 GLU 22 HB2 GLU 22 28.235 -3.671 -1.975 205 HB3 GLU 22 HB1 GLU 22 26.658 -4.416 -2.206 206 HG2 GLU 22 HG2 GLU 22 26.696 -2.314 -3.400 207 HG3 GLU 22 HG1 GLU 22 25.626 -2.144 -2.013 208 H LYS 23 HN LYS 23 29.503 -3.485 0.017 209 HA LYS 23 HA LYS 23 29.614 -1.591 2.136 210 HB2 LYS 23 HB2 LYS 23 31.808 -2.775 0.423 211 HB3 LYS 23 HB1 LYS 23 32.030 -1.823 1.891 212 HG2 LYS 23 HG2 LYS 23 30.790 -3.488 3.196 213 HG3 LYS 23 HG1 LYS 23 30.476 -4.422 1.742 214 HD2 LYS 23 HD2 LYS 23 32.305 -5.444 3.000 215 HD3 LYS 23 HD1 LYS 23 32.917 -4.806 1.480 216 HE2 LYS 23 HE2 LYS 23 34.424 -4.297 3.372 217 HE3 LYS 23 HE1 LYS 23 33.803 -2.822 2.656 218 HZ1 LYS 23 HZ1 LYS 23 32.384 -2.465 4.430 219 HZ2 LYS 23 HZ2 LYS 23 33.749 -3.119 5.202 220 HZ3 LYS 23 HZ3 LYS 23 32.389 -4.093 4.906 221 HN1 NH2 24 H2 LYS 23 29.230 0.878 -0.561 222 HN2 NH2 24 H1 LYS 23 28.253 -0.351 0.068 Start of MODEL 6 1 H1 ACE 0 HA2 ACE 0 10.036 -1.123 -1.719 2 H2 ACE 0 HA3 ACE 0 9.085 -0.643 -0.314 3 H3 ACE 0 HA1 ACE 0 10.680 -1.363 -0.097 4 H GLU 1 HN GLU 1 12.522 -0.105 -0.395 5 HA GLU 1 HA GLU 1 12.349 2.602 -1.382 6 HB2 GLU 1 HB2 GLU 1 13.068 3.673 0.719 7 HB3 GLU 1 HB1 GLU 1 11.474 2.935 0.874 8 HG2 GLU 1 HG2 GLU 1 12.500 0.947 1.923 9 HG3 GLU 1 HG1 GLU 1 14.087 1.696 1.780 10 H ARG 2 HN ARG 2 14.529 3.762 -0.938 11 HA ARG 2 HA ARG 2 16.733 1.790 -1.233 12 HB2 ARG 2 HB2 ARG 2 16.570 4.542 -2.517 13 HB3 ARG 2 HB1 ARG 2 17.911 3.427 -2.652 14 HG2 ARG 2 HG2 ARG 2 16.668 3.338 -4.709 15 HG3 ARG 2 HG1 ARG 2 16.377 1.835 -3.851 16 HD2 ARG 2 HD2 ARG 2 14.182 2.637 -3.136 17 HD3 ARG 2 HD1 ARG 2 14.488 4.211 -3.836 18 HE ARG 2 HE ARG 2 13.775 3.307 -5.831 19 HH11 ARG 2 HH21 ARG 2 14.932 0.777 -3.765 20 HH12 ARG 2 HH22 ARG 2 14.607 -0.483 -4.909 21 HH21 ARG 2 HH11 ARG 2 13.347 1.660 -7.317 22 HH22 ARG 2 HH12 ARG 2 13.711 0.015 -6.914 23 H PHE 3 HN PHE 3 18.817 2.508 -0.467 24 HA PHE 3 HA PHE 3 18.804 4.819 1.370 25 HB2 PHE 3 HB2 PHE 3 18.319 2.802 2.730 26 HB3 PHE 3 HB1 PHE 3 19.779 2.045 2.103 27 HD1 PHE 3 HD1 PHE 3 18.825 5.371 3.605 28 HD2 PHE 3 HD2 PHE 3 21.622 2.103 3.532 29 HE1 PHE 3 HE1 PHE 3 20.157 6.467 5.380 30 HE2 PHE 3 HE2 PHE 3 22.950 3.206 5.309 31 HZ PHE 3 HZ PHE 3 22.218 5.387 6.234 32 H TYR 4 HN TYR 4 20.457 6.088 0.818 33 HA TYR 4 HA TYR 4 22.986 4.871 -0.137 34 HB2 TYR 4 HB2 TYR 4 21.743 5.600 -2.100 35 HB3 TYR 4 HB1 TYR 4 21.502 7.193 -1.388 36 HD1 TYR 4 HD1 TYR 4 24.381 4.838 -1.994 37 HD2 TYR 4 HD2 TYR 4 22.921 8.871 -2.176 38 HE1 TYR 4 HE1 TYR 4 26.550 5.578 -2.927 39 HE2 TYR 4 HE2 TYR 4 25.093 9.612 -3.110 40 HH TYR 4 HH TYR 4 27.490 7.369 -4.189 41 H GLU 5 HN GLU 5 24.723 5.605 0.913 42 HA GLU 5 HA GLU 5 24.960 8.360 1.647 43 HB2 GLU 5 HB2 GLU 5 23.615 7.648 3.526 44 HB3 GLU 5 HB1 GLU 5 24.685 6.296 3.843 45 HG2 GLU 5 HG2 GLU 5 25.137 8.114 5.403 46 HG3 GLU 5 HG1 GLU 5 26.517 7.859 4.351 47 H LYS 6 HN LYS 6 27.026 8.999 2.138 48 HA LYS 6 HA LYS 6 29.153 6.996 1.634 49 HB2 LYS 6 HB2 LYS 6 29.170 9.991 1.265 50 HB3 LYS 6 HB1 LYS 6 30.515 8.912 0.894 51 HG2 LYS 6 HG2 LYS 6 29.057 7.697 -0.719 52 HG3 LYS 6 HG1 LYS 6 27.768 8.848 -0.396 53 HD2 LYS 6 HD2 LYS 6 30.486 9.545 -1.556 54 HD3 LYS 6 HD1 LYS 6 29.000 9.390 -2.483 55 HE2 LYS 6 HE2 LYS 6 29.533 11.448 -0.310 56 HE3 LYS 6 HE1 LYS 6 29.467 11.743 -2.036 57 HZ1 LYS 6 HZ1 LYS 6 27.139 10.555 -1.715 58 HZ2 LYS 6 HZ2 LYS 6 27.343 12.234 -1.554 59 HZ3 LYS 6 HZ3 LYS 6 27.291 11.246 -0.173 60 HAC 4G6 7 HAC 4G6 7 31.511 6.932 7.751 61 HAB 4G6 7 HAB 4G6 7 32.598 5.596 7.301 62 HAA 4G6 7 HAA 4G6 7 32.947 7.252 6.750 63 HAF 4G6 7 HAF 4G6 7 29.835 4.760 5.441 64 HAD 4G6 7 HAD 4G6 7 29.199 6.331 5.992 65 HAE 4G6 7 HAE 4G6 7 30.071 5.273 7.128 66 HAL 4G6 7 HAL 4G6 7 32.563 5.882 4.000 67 HAH 4G6 7 HAH 4G6 7 31.931 8.212 4.945 68 HAG 4G6 7 HAG 4G6 7 30.323 8.181 5.702 69 HAI 4G6 7 HAI 4G6 7 30.672 6.671 3.163 70 HA DPR 8 HA PRO 8 33.583 4.177 3.288 71 HB2 DPR 8 HB2 PRO 8 34.941 2.829 4.570 72 HB3 DPR 8 HB1 PRO 8 33.575 2.097 5.434 73 HG2 DPR 8 HG2 PRO 8 34.775 1.360 2.807 74 HG3 DPR 8 HG1 PRO 8 34.073 0.320 4.059 75 HD2 DPR 8 HD2 PRO 8 32.753 0.947 1.751 76 HD3 DPR 8 HD1 PRO 8 31.906 0.610 3.273 77 H VAL 9 HN VAL 9 28.605 3.580 1.351 78 HA VAL 9 HA VAL 9 30.522 1.298 1.357 79 HB VAL 9 HB VAL 9 30.626 3.735 -0.449 80 HG11 VAL 9 HG11 VAL 9 32.873 2.792 0.334 81 HG12 VAL 9 HG12 VAL 9 32.611 2.806 -1.405 82 HG13 VAL 9 HG13 VAL 9 32.430 1.305 -0.505 83 HG21 VAL 9 HG21 VAL 9 28.945 2.186 -1.218 84 HG22 VAL 9 HG22 VAL 9 30.022 0.813 -0.963 85 HG23 VAL 9 HG23 VAL 9 30.368 1.979 -2.239 86 H GLN 10 HN GLN 10 25.886 0.381 0.257 87 HA GLN 10 HA GLN 10 26.500 3.123 1.193 88 HB2 GLN 10 HB2 GLN 10 26.101 0.687 2.958 89 HB3 GLN 10 HB1 GLN 10 26.550 2.301 3.510 90 HG2 GLN 10 HG2 GLN 10 23.976 1.622 2.052 91 HG3 GLN 10 HG1 GLN 10 24.114 1.846 3.793 92 HE21 GLN 10 HE21 GLN 10 26.288 4.020 2.723 93 HE22 GLN 10 HE22 GLN 10 25.293 5.370 2.492 94 H LYS 11 HN LYS 11 22.152 1.832 -1.108 95 HA LYS 11 HA LYS 11 24.574 0.191 -1.496 96 HB2 LYS 11 HB2 LYS 11 23.737 2.778 -2.803 97 HB3 LYS 11 HB1 LYS 11 25.257 1.937 -3.104 98 HG2 LYS 11 HG2 LYS 11 23.998 -0.047 -3.869 99 HG3 LYS 11 HG1 LYS 11 22.482 0.808 -3.581 100 HD2 LYS 11 HD2 LYS 11 23.151 2.540 -5.214 101 HD3 LYS 11 HD1 LYS 11 24.654 1.671 -5.516 102 HE2 LYS 11 HE2 LYS 11 21.867 0.566 -5.986 103 HE3 LYS 11 HE1 LYS 11 22.956 1.156 -7.240 104 HZ1 LYS 11 HZ1 LYS 11 23.480 -1.033 -7.292 105 HZ2 LYS 11 HZ2 LYS 11 23.091 -1.297 -5.659 106 HZ3 LYS 11 HZ3 LYS 11 24.563 -0.556 -6.078 107 H PHE 12 HN PHE 12 20.081 -1.910 -1.018 108 HA PHE 12 HA PHE 12 20.414 0.962 -0.322 109 HB2 PHE 12 HB2 PHE 12 20.908 -1.539 1.307 110 HB3 PHE 12 HB1 PHE 12 21.232 0.091 1.857 111 HD1 PHE 12 HD2 PHE 12 18.309 0.636 0.054 112 HD2 PHE 12 HD1 PHE 12 19.629 -1.404 3.600 113 HE1 PHE 12 HE2 PHE 12 16.069 0.801 0.967 114 HE2 PHE 12 HE1 PHE 12 17.337 -1.202 4.525 115 HZ PHE 12 HZ PHE 12 15.558 -0.101 3.185 116 H ILE 13 HN ILE 13 16.544 -0.450 -2.704 117 HA ILE 13 HA ILE 13 18.616 -2.493 -2.354 118 HB ILE 13 HB ILE 13 19.901 -1.790 -4.328 119 HG12 ILE 13 HG12 ILE 13 18.687 -0.590 -6.186 120 HG13 ILE 13 HG11 ILE 13 17.432 -0.164 -5.034 121 HG21 ILE 13 HG21 ILE 13 18.235 -3.696 -4.321 122 HG22 ILE 13 HG22 ILE 13 18.621 -3.042 -5.910 123 HG23 ILE 13 HG23 ILE 13 17.105 -2.606 -5.122 124 HD11 ILE 13 HD11 ILE 13 20.128 0.583 -4.114 125 HD12 ILE 13 HD12 ILE 13 18.655 1.557 -4.213 126 HD13 ILE 13 HD13 ILE 13 19.667 1.345 -5.627 127 H ARG 14 HN ARG 14 14.330 -3.573 -4.143 128 HA ARG 14 HA ARG 14 14.461 -1.059 -2.844 129 HB2 ARG 14 HB2 ARG 14 14.650 -1.826 -0.506 130 HB3 ARG 14 HB1 ARG 14 13.041 -2.114 -1.161 131 HG2 ARG 14 HG2 ARG 14 13.666 -4.469 -1.631 132 HG3 ARG 14 HG1 ARG 14 15.256 -4.173 -0.929 133 HD2 ARG 14 HD2 ARG 14 13.774 -5.207 0.725 134 HD3 ARG 14 HD1 ARG 14 14.209 -3.572 1.215 135 HE ARG 14 HE ARG 14 11.803 -3.468 -0.256 136 HH11 ARG 14 HH21 ARG 14 13.103 -4.627 2.733 137 HH12 ARG 14 HH22 ARG 14 11.611 -4.474 3.601 138 HH21 ARG 14 HH11 ARG 14 9.844 -3.263 0.874 139 HH22 ARG 14 HH12 ARG 14 9.766 -3.701 2.549 140 H VAL 15 HN VAL 15 11.546 -4.900 -3.233 141 HA VAL 15 HA VAL 15 12.593 -3.829 -5.633 142 HB VAL 15 HB VAL 15 11.102 -1.862 -5.876 143 HG11 VAL 15 HG11 VAL 15 10.823 -4.078 -7.210 144 HG12 VAL 15 HG12 VAL 15 9.539 -2.879 -7.285 145 HG13 VAL 15 HG13 VAL 15 9.357 -4.283 -6.250 146 HG21 VAL 15 HG21 VAL 15 9.712 -3.190 -3.594 147 HG22 VAL 15 HG22 VAL 15 8.649 -2.530 -4.835 148 HG23 VAL 15 HG23 VAL 15 9.799 -1.480 -4.018 149 H8 4FU 16 HAM 4FU 16 9.701 -9.020 -3.986 150 H9 4FU 16 HAI 4FU 16 9.472 -7.465 -6.552 151 HAI 4FU 16 HAJ 4FU 16 8.435 -8.756 -5.922 152 H112 4FU 16 HAE 4FU 16 7.069 -6.996 -5.432 153 H111 4FU 16 HAF 4FU 16 8.417 -5.844 -5.322 154 HAG 4FU 16 HAG 4FU 16 7.341 -6.259 -3.116 155 H12 4FU 16 HAH 4FU 16 7.754 -7.980 -3.267 156 HAL 4FU 16 HAL 4FU 16 9.542 -7.249 -2.021 157 HAK 4FU 16 HAK 4FU 16 9.512 -5.622 -2.721 158 H14 4FU 16 HAN 4FU 16 11.446 -7.336 -3.294 159 H GLY 17 HN GLY 17 11.816 -9.931 -3.816 160 HA2 GLY 17 HA2 GLY 17 13.527 -11.190 -4.715 161 HA3 GLY 17 HA1 GLY 17 12.889 -10.824 -6.319 162 H VAL 18 HN VAL 18 13.338 -8.103 -4.353 163 HA VAL 18 HA VAL 18 15.849 -7.402 -5.750 164 HB VAL 18 HB VAL 18 13.641 -5.617 -4.790 165 HG11 VAL 18 HG11 VAL 18 15.773 -4.476 -4.708 166 HG12 VAL 18 HG12 VAL 18 14.909 -3.900 -6.125 167 HG13 VAL 18 HG13 VAL 18 16.210 -5.077 -6.301 168 HG21 VAL 18 HG21 VAL 18 12.862 -6.799 -6.720 169 HG22 VAL 18 HG22 VAL 18 14.423 -6.656 -7.523 170 HG23 VAL 18 HG23 VAL 18 13.406 -5.232 -7.311 171 H THR 19 HN THR 19 17.405 -7.881 -4.232 172 HA THR 19 HA THR 19 17.429 -6.194 -1.844 173 HB THR 19 HB THR 19 17.949 -8.089 -0.365 174 HG1 THR 19 HG1 THR 19 17.037 -10.108 -1.751 175 HG21 THR 19 HG21 THR 19 15.711 -8.884 -0.116 176 HG22 THR 19 HG22 THR 19 15.366 -8.649 -1.829 177 HG23 THR 19 HG23 THR 19 15.574 -7.254 -0.772 178 H ILE 20 HN ILE 20 19.483 -5.639 -1.197 179 HA ILE 20 HA ILE 20 21.823 -7.106 -1.834 180 HB ILE 20 HB ILE 20 21.325 -6.333 -4.123 181 HG12 ILE 20 HG12 ILE 20 23.687 -4.893 -2.861 182 HG13 ILE 20 HG11 ILE 20 23.682 -6.579 -3.380 183 HG21 ILE 20 HG21 ILE 20 21.051 -4.077 -4.697 184 HG22 ILE 20 HG22 ILE 20 21.818 -3.499 -3.219 185 HG23 ILE 20 HG23 ILE 20 20.190 -4.174 -3.162 186 HD11 ILE 20 HD11 ILE 20 23.364 -4.119 -5.115 187 HD12 ILE 20 HD12 ILE 20 23.055 -5.757 -5.693 188 HD13 ILE 20 HD13 ILE 20 24.672 -5.301 -5.158 189 H ARG 21 HN ARG 21 23.098 -6.624 -0.177 190 HA ARG 21 HA ARG 21 22.962 -3.927 1.063 191 HB2 ARG 21 HB2 ARG 21 24.102 -6.522 2.131 192 HB3 ARG 21 HB1 ARG 21 23.997 -5.008 3.007 193 HG2 ARG 21 HG2 ARG 21 21.621 -6.618 2.036 194 HG3 ARG 21 HG1 ARG 21 22.247 -6.649 3.673 195 HD2 ARG 21 HD2 ARG 21 20.368 -5.166 3.676 196 HD3 ARG 21 HD1 ARG 21 21.807 -4.176 3.817 197 HE ARG 21 HE ARG 21 21.114 -3.120 1.897 198 HH11 ARG 21 HH21 ARG 21 19.858 -6.351 1.975 199 HH12 ARG 21 HH22 ARG 21 18.942 -6.175 0.516 200 HH21 ARG 21 HH11 ARG 21 19.857 -2.875 0.015 201 HH22 ARG 21 HH12 ARG 21 18.939 -4.214 -0.588 202 H GLU 22 HN GLU 22 24.669 -2.589 0.691 203 HA GLU 22 HA GLU 22 27.269 -3.790 -0.073 204 HB2 GLU 22 HB2 GLU 22 26.257 -2.366 -1.833 205 HB3 GLU 22 HB1 GLU 22 26.219 -1.040 -0.684 206 HG2 GLU 22 HG2 GLU 22 28.185 -0.857 -2.137 207 HG3 GLU 22 HG1 GLU 22 28.659 -1.123 -0.466 208 H LYS 23 HN LYS 23 28.953 -3.437 1.246 209 HA LYS 23 HA LYS 23 28.500 -2.052 3.738 210 HB2 LYS 23 HB2 LYS 23 30.925 -3.522 2.692 211 HB3 LYS 23 HB1 LYS 23 30.803 -2.822 4.295 212 HG2 LYS 23 HG2 LYS 23 30.367 -5.221 4.367 213 HG3 LYS 23 HG1 LYS 23 28.918 -4.327 4.800 214 HD2 LYS 23 HD2 LYS 23 27.980 -4.700 2.582 215 HD3 LYS 23 HD1 LYS 23 29.467 -5.489 2.050 216 HE2 LYS 23 HE2 LYS 23 27.666 -6.393 4.298 217 HE3 LYS 23 HE1 LYS 23 27.730 -7.116 2.693 218 HZ1 LYS 23 HZ1 LYS 23 29.628 -7.297 4.896 219 HZ2 LYS 23 HZ2 LYS 23 30.286 -7.212 3.332 220 HZ3 LYS 23 HZ3 LYS 23 29.203 -8.457 3.735 221 HN1 NH2 24 H2 LYS 23 30.008 0.996 3.018 222 HN2 NH2 24 H1 LYS 23 28.774 0.143 3.805 Start of MODEL 7 1 H1 ACE 0 HA2 ACE 0 10.531 -0.098 -2.877 2 H2 ACE 0 HA3 ACE 0 9.320 0.175 -1.625 3 H3 ACE 0 HA1 ACE 0 10.614 -0.993 -1.359 4 H GLU 1 HN GLU 1 11.662 -0.103 0.365 5 HA GLU 1 HA GLU 1 12.312 2.742 0.413 6 HB2 GLU 1 HB2 GLU 1 13.220 2.235 2.650 7 HB3 GLU 1 HB1 GLU 1 11.562 1.666 2.472 8 HG2 GLU 1 HG2 GLU 1 12.409 -0.607 1.964 9 HG3 GLU 1 HG1 GLU 1 14.059 -0.031 2.198 10 H ARG 2 HN ARG 2 14.320 3.627 0.161 11 HA ARG 2 HA ARG 2 16.523 1.790 -0.620 12 HB2 ARG 2 HB2 ARG 2 15.976 4.557 -1.738 13 HB3 ARG 2 HB1 ARG 2 17.357 3.563 -2.119 14 HG2 ARG 2 HG2 ARG 2 15.832 3.395 -3.963 15 HG3 ARG 2 HG1 ARG 2 15.766 1.869 -3.103 16 HD2 ARG 2 HD2 ARG 2 13.661 2.552 -2.039 17 HD3 ARG 2 HD1 ARG 2 13.754 4.118 -2.805 18 HE ARG 2 HE ARG 2 12.825 3.119 -4.661 19 HH11 ARG 2 HH21 ARG 2 14.405 0.728 -2.711 20 HH12 ARG 2 HH22 ARG 2 14.008 -0.587 -3.766 21 HH21 ARG 2 HH11 ARG 2 12.302 1.394 -6.037 22 HH22 ARG 2 HH12 ARG 2 12.820 -0.211 -5.644 23 H PHE 3 HN PHE 3 18.694 2.535 -0.192 24 HA PHE 3 HA PHE 3 18.996 4.863 1.567 25 HB2 PHE 3 HB2 PHE 3 18.433 2.949 3.073 26 HB3 PHE 3 HB1 PHE 3 19.816 2.081 2.437 27 HD1 PHE 3 HD2 PHE 3 20.794 5.543 2.658 28 HD2 PHE 3 HD1 PHE 3 20.059 2.046 5.067 29 HE1 PHE 3 HE2 PHE 3 22.197 6.472 4.432 30 HE2 PHE 3 HE1 PHE 3 21.473 3.007 6.855 31 HZ PHE 3 HZ PHE 3 22.561 5.207 6.531 32 H TYR 4 HN TYR 4 20.675 5.903 0.553 33 HA TYR 4 HA TYR 4 23.058 4.315 -0.241 34 HB2 TYR 4 HB2 TYR 4 21.978 6.835 -1.509 35 HB3 TYR 4 HB1 TYR 4 23.587 6.200 -1.822 36 HD1 TYR 4 HD1 TYR 4 20.039 4.872 -1.697 37 HD2 TYR 4 HD2 TYR 4 23.821 4.936 -3.745 38 HE1 TYR 4 HE1 TYR 4 19.140 3.369 -3.464 39 HE2 TYR 4 HE2 TYR 4 22.909 3.441 -5.488 40 HH TYR 4 HH TYR 4 20.774 1.588 -5.383 41 H GLU 5 HN GLU 5 24.831 4.708 0.880 42 HA GLU 5 HA GLU 5 25.038 7.217 2.443 43 HB2 GLU 5 HB2 GLU 5 26.567 4.632 2.827 44 HB3 GLU 5 HB1 GLU 5 26.767 6.086 3.781 45 HG2 GLU 5 HG2 GLU 5 25.416 4.533 5.040 46 HG3 GLU 5 HG1 GLU 5 24.403 5.867 4.536 47 H LYS 6 HN LYS 6 26.500 8.665 1.838 48 HA LYS 6 HA LYS 6 28.567 7.863 -0.123 49 HB2 LYS 6 HB2 LYS 6 28.557 10.243 -0.788 50 HB3 LYS 6 HB1 LYS 6 27.025 9.434 -1.095 51 HG2 LYS 6 HG2 LYS 6 26.179 10.379 1.081 52 HG3 LYS 6 HG1 LYS 6 27.662 11.299 1.218 53 HD2 LYS 6 HD2 LYS 6 25.632 11.563 -1.009 54 HD3 LYS 6 HD1 LYS 6 25.852 12.689 0.319 55 HE2 LYS 6 HE2 LYS 6 26.938 13.583 -1.659 56 HE3 LYS 6 HE1 LYS 6 28.177 13.128 -0.494 57 HZ1 LYS 6 HZ1 LYS 6 29.028 11.686 -1.918 58 HZ2 LYS 6 HZ2 LYS 6 27.993 12.319 -3.109 59 HZ3 LYS 6 HZ3 LYS 6 27.522 10.959 -2.207 60 HAC 4G6 7 HAC 4G6 7 32.083 8.738 0.257 61 HAB 4G6 7 HAB 4G6 7 33.772 8.178 0.302 62 HAA 4G6 7 HAA 4G6 7 32.450 7.002 0.113 63 HAF 4G6 7 HAF 4G6 7 34.716 7.849 2.738 64 HAD 4G6 7 HAD 4G6 7 33.611 8.813 3.750 65 HAE 4G6 7 HAE 4G6 7 34.092 9.403 2.140 66 HAL 4G6 7 HAL 4G6 7 33.538 5.865 2.286 67 HAH 4G6 7 HAH 4G6 7 31.530 9.564 2.580 68 HAG 4G6 7 HAG 4G6 7 31.154 8.155 3.593 69 HAI 4G6 7 HAI 4G6 7 30.208 7.260 1.251 70 HA DPR 8 HA PRO 8 33.102 4.087 3.102 71 HB2 DPR 8 HB2 PRO 8 32.483 4.013 5.357 72 HB3 DPR 8 HB1 PRO 8 30.764 4.281 4.990 73 HG2 DPR 8 HG2 PRO 8 32.351 1.773 4.863 74 HG3 DPR 8 HG1 PRO 8 30.621 1.997 5.171 75 HD2 DPR 8 HD2 PRO 8 31.866 1.297 2.660 76 HD3 DPR 8 HD1 PRO 8 30.143 1.610 2.955 77 H VAL 9 HN VAL 9 28.008 3.347 0.714 78 HA VAL 9 HA VAL 9 30.417 1.592 0.654 79 HB VAL 9 HB VAL 9 29.562 2.029 -1.576 80 HG11 VAL 9 HG11 VAL 9 28.983 4.110 -2.412 81 HG12 VAL 9 HG12 VAL 9 30.126 4.973 -1.389 82 HG13 VAL 9 HG13 VAL 9 28.605 4.391 -0.714 83 HG21 VAL 9 HG21 VAL 9 31.615 2.822 -2.545 84 HG22 VAL 9 HG22 VAL 9 32.045 1.987 -1.052 85 HG23 VAL 9 HG23 VAL 9 32.009 3.750 -1.098 86 H GLN 10 HN GLN 10 25.820 -0.154 0.719 87 HA GLN 10 HA GLN 10 26.235 2.599 1.770 88 HB2 GLN 10 HB2 GLN 10 25.209 1.016 3.381 89 HB3 GLN 10 HB1 GLN 10 26.591 -0.051 3.182 90 HG2 GLN 10 HG2 GLN 10 28.087 1.728 3.999 91 HG3 GLN 10 HG1 GLN 10 26.698 2.784 4.218 92 HE21 GLN 10 HE21 GLN 10 26.017 2.826 6.351 93 HE22 GLN 10 HE22 GLN 10 26.094 1.515 7.426 94 H LYS 11 HN LYS 11 22.177 1.424 -0.829 95 HA LYS 11 HA LYS 11 24.494 -0.408 -0.992 96 HB2 LYS 11 HB2 LYS 11 23.952 2.111 -2.572 97 HB3 LYS 11 HB1 LYS 11 25.487 1.266 -2.579 98 HG2 LYS 11 HG2 LYS 11 24.219 0.661 -4.551 99 HG3 LYS 11 HG1 LYS 11 24.360 -0.738 -3.503 100 HD2 LYS 11 HD2 LYS 11 22.061 -0.404 -2.722 101 HD3 LYS 11 HD1 LYS 11 21.917 1.044 -3.718 102 HE2 LYS 11 HE2 LYS 11 22.480 -1.761 -4.734 103 HE3 LYS 11 HE1 LYS 11 20.939 -0.926 -4.857 104 HZ1 LYS 11 HZ1 LYS 11 23.411 -0.470 -6.329 105 HZ2 LYS 11 HZ2 LYS 11 22.457 0.889 -5.965 106 HZ3 LYS 11 HZ3 LYS 11 21.803 -0.397 -6.859 107 H PHE 12 HN PHE 12 19.994 -2.222 -0.465 108 HA PHE 12 HA PHE 12 20.332 0.694 0.023 109 HB2 PHE 12 HB2 PHE 12 20.780 -1.653 1.884 110 HB3 PHE 12 HB1 PHE 12 21.242 -0.005 2.251 111 HD1 PHE 12 HD2 PHE 12 18.250 0.599 0.630 112 HD2 PHE 12 HD1 PHE 12 19.693 -1.262 4.212 113 HE1 PHE 12 HE2 PHE 12 16.095 0.996 1.679 114 HE2 PHE 12 HE1 PHE 12 17.504 -0.821 5.286 115 HZ PHE 12 HZ PHE 12 15.707 0.303 3.996 116 H ILE 13 HN ILE 13 16.154 -1.094 -1.839 117 HA ILE 13 HA ILE 13 18.391 -2.948 -1.519 118 HB ILE 13 HB ILE 13 19.535 -2.204 -3.582 119 HG12 ILE 13 HG12 ILE 13 18.120 -1.301 -5.449 120 HG13 ILE 13 HG11 ILE 13 16.838 -1.001 -4.290 121 HG21 ILE 13 HG21 ILE 13 18.392 -3.716 -5.019 122 HG22 ILE 13 HG22 ILE 13 16.862 -3.451 -4.189 123 HG23 ILE 13 HG23 ILE 13 18.171 -4.310 -3.378 124 HD11 ILE 13 HD11 ILE 13 17.817 0.906 -3.547 125 HD12 ILE 13 HD12 ILE 13 18.737 0.821 -5.037 126 HD13 ILE 13 HD13 ILE 13 19.435 0.204 -3.551 127 H ARG 14 HN ARG 14 13.815 -4.952 -1.679 128 HA ARG 14 HA ARG 14 14.082 -2.099 -2.368 129 HB2 ARG 14 HB2 ARG 14 14.643 -1.741 0.067 130 HB3 ARG 14 HB1 ARG 14 12.963 -2.090 -0.284 131 HG2 ARG 14 HG2 ARG 14 14.901 -4.241 0.570 132 HG3 ARG 14 HG1 ARG 14 14.032 -3.258 1.742 133 HD2 ARG 14 HD2 ARG 14 11.887 -4.016 0.834 134 HD3 ARG 14 HD1 ARG 14 12.672 -4.967 -0.390 135 HE ARG 14 HE ARG 14 13.668 -5.741 2.119 136 HH11 ARG 14 HH21 ARG 14 10.797 -5.795 0.192 137 HH12 ARG 14 HH22 ARG 14 10.180 -7.250 0.899 138 HH21 ARG 14 HH11 ARG 14 12.865 -7.655 3.055 139 HH22 ARG 14 HH12 ARG 14 11.351 -8.303 2.519 140 H VAL 15 HN VAL 15 11.764 -4.827 -5.472 141 HA VAL 15 HA VAL 15 11.534 -5.759 -2.690 142 HB VAL 15 HB VAL 15 13.858 -6.265 -4.566 143 HG11 VAL 15 HG11 VAL 15 14.860 -6.150 -2.460 144 HG12 VAL 15 HG12 VAL 15 14.434 -7.854 -2.561 145 HG13 VAL 15 HG13 VAL 15 13.421 -6.751 -1.637 146 HG21 VAL 15 HG21 VAL 15 11.961 -7.685 -5.129 147 HG22 VAL 15 HG22 VAL 15 11.731 -8.100 -3.432 148 HG23 VAL 15 HG23 VAL 15 13.165 -8.660 -4.288 149 H8 4FU 16 HAM 4FU 16 9.712 -4.625 -8.072 150 H9 4FU 16 HAI 4FU 16 11.195 -3.470 -5.681 151 HAI 4FU 16 HAJ 4FU 16 11.196 -2.828 -7.336 152 H112 4FU 16 HAE 4FU 16 8.776 -2.473 -7.241 153 H111 4FU 16 HAF 4FU 16 9.588 -1.632 -5.901 154 HAG 4FU 16 HAG 4FU 16 9.026 -3.502 -4.382 155 H12 4FU 16 HAH 4FU 16 7.563 -2.817 -5.130 156 HAL 4FU 16 HAL 4FU 16 7.592 -4.607 -6.824 157 HAK 4FU 16 HAK 4FU 16 7.515 -5.293 -5.185 158 H14 4FU 16 HAN 4FU 16 9.149 -6.493 -6.586 159 H GLY 17 HN GLY 17 12.618 -3.878 -7.528 160 HA2 GLY 17 HA2 GLY 17 13.866 -5.862 -8.983 161 HA3 GLY 17 HA1 GLY 17 14.710 -4.741 -7.929 162 H VAL 18 HN VAL 18 16.075 -5.783 -6.667 163 HA VAL 18 HA VAL 18 15.231 -8.267 -5.287 164 HB VAL 18 HB VAL 18 17.511 -9.147 -5.583 165 HG11 VAL 18 HG11 VAL 18 16.390 -8.324 -8.272 166 HG12 VAL 18 HG12 VAL 18 15.631 -9.555 -7.261 167 HG13 VAL 18 HG13 VAL 18 17.266 -9.801 -7.873 168 HG21 VAL 18 HG21 VAL 18 18.808 -7.138 -5.781 169 HG22 VAL 18 HG22 VAL 18 17.855 -6.582 -7.157 170 HG23 VAL 18 HG23 VAL 18 18.938 -7.962 -7.335 171 H THR 19 HN THR 19 17.273 -8.717 -3.615 172 HA THR 19 HA THR 19 17.630 -6.172 -2.119 173 HB THR 19 HB THR 19 16.042 -7.604 -0.952 174 HG1 THR 19 HG1 THR 19 17.953 -6.445 0.068 175 HG21 THR 19 HG21 THR 19 16.873 -9.772 -1.902 176 HG22 THR 19 HG22 THR 19 16.641 -9.809 -0.156 177 HG23 THR 19 HG23 THR 19 18.264 -9.655 -0.824 178 H ILE 20 HN ILE 20 19.578 -5.604 -1.541 179 HA ILE 20 HA ILE 20 21.725 -7.485 -1.114 180 HB ILE 20 HB ILE 20 21.805 -7.244 -3.575 181 HG12 ILE 20 HG12 ILE 20 24.145 -6.463 -3.757 182 HG13 ILE 20 HG11 ILE 20 24.035 -5.737 -2.158 183 HG21 ILE 20 HG21 ILE 20 22.350 -4.308 -3.092 184 HG22 ILE 20 HG22 ILE 20 20.746 -4.920 -3.494 185 HG23 ILE 20 HG23 ILE 20 22.078 -5.121 -4.633 186 HD11 ILE 20 HD11 ILE 20 24.039 -7.796 -1.073 187 HD12 ILE 20 HD12 ILE 20 25.070 -8.150 -2.456 188 HD13 ILE 20 HD13 ILE 20 23.382 -8.655 -2.468 189 H ARG 21 HN ARG 21 23.240 -6.599 0.293 190 HA ARG 21 HA ARG 21 22.901 -3.737 0.970 191 HB2 ARG 21 HB2 ARG 21 21.949 -5.269 2.653 192 HB3 ARG 21 HB1 ARG 21 23.485 -6.110 2.766 193 HG2 ARG 21 HG2 ARG 21 23.232 -4.620 4.647 194 HG3 ARG 21 HG1 ARG 21 24.502 -4.004 3.596 195 HD2 ARG 21 HD2 ARG 21 22.987 -2.364 2.636 196 HD3 ARG 21 HD1 ARG 21 21.625 -3.068 3.499 197 HE ARG 21 HE ARG 21 22.230 -1.757 5.256 198 HH11 ARG 21 HH21 ARG 21 25.005 -2.325 3.282 199 HH12 ARG 21 HH22 ARG 21 26.066 -1.384 4.274 200 HH21 ARG 21 HH11 ARG 21 23.608 -0.509 6.544 201 HH22 ARG 21 HH12 ARG 21 25.279 -0.353 6.112 202 H GLU 22 HN GLU 22 24.685 -2.870 -0.081 203 HA GLU 22 HA GLU 22 27.257 -4.171 -0.052 204 HB2 GLU 22 HB2 GLU 22 26.518 -2.754 -1.953 205 HB3 GLU 22 HB1 GLU 22 26.500 -1.366 -0.878 206 HG2 GLU 22 HG2 GLU 22 28.560 -1.429 -2.207 207 HG3 GLU 22 HG1 GLU 22 28.904 -1.592 -0.495 208 H LYS 23 HN LYS 23 29.210 -3.046 0.896 209 HA LYS 23 HA LYS 23 28.583 -1.328 3.192 210 HB2 LYS 23 HB2 LYS 23 29.899 -2.633 4.746 211 HB3 LYS 23 HB1 LYS 23 28.582 -3.605 4.138 212 HG2 LYS 23 HG2 LYS 23 31.485 -3.746 3.258 213 HG3 LYS 23 HG1 LYS 23 30.666 -4.909 4.278 214 HD2 LYS 23 HD2 LYS 23 30.131 -4.396 1.338 215 HD3 LYS 23 HD1 LYS 23 30.880 -5.803 2.041 216 HE2 LYS 23 HE2 LYS 23 28.001 -4.961 2.487 217 HE3 LYS 23 HE1 LYS 23 28.556 -6.292 1.486 218 HZ1 LYS 23 HZ1 LYS 23 28.746 -6.035 4.423 219 HZ2 LYS 23 HZ2 LYS 23 29.687 -7.150 3.552 220 HZ3 LYS 23 HZ3 LYS 23 27.991 -7.255 3.519 221 HN1 NH2 24 H2 LYS 23 31.443 -0.208 1.097 222 HN2 NH2 24 H1 LYS 23 29.884 -0.708 0.692 Start of MODEL 8 1 H1 ACE 0 HA2 ACE 0 10.328 -1.645 -3.028 2 H2 ACE 0 HA3 ACE 0 8.733 -0.967 -2.699 3 H3 ACE 0 HA1 ACE 0 9.570 -1.899 -1.456 4 H GLU 1 HN GLU 1 12.079 -0.883 -1.452 5 HA GLU 1 HA GLU 1 12.027 2.018 -1.400 6 HB2 GLU 1 HB2 GLU 1 12.587 2.191 0.993 7 HB3 GLU 1 HB1 GLU 1 10.981 1.504 0.754 8 HG2 GLU 1 HG2 GLU 1 11.909 -0.764 1.048 9 HG3 GLU 1 HG1 GLU 1 13.513 -0.078 1.293 10 H ARG 2 HN ARG 2 14.174 2.833 -0.409 11 HA ARG 2 HA ARG 2 16.369 0.971 -0.693 12 HB2 ARG 2 HB2 ARG 2 17.532 2.368 -2.396 13 HB3 ARG 2 HB1 ARG 2 16.126 1.500 -2.976 14 HG2 ARG 2 HG2 ARG 2 16.188 3.781 -3.892 15 HG3 ARG 2 HG1 ARG 2 14.781 3.549 -2.872 16 HD2 ARG 2 HD2 ARG 2 15.822 4.804 -1.076 17 HD3 ARG 2 HD1 ARG 2 17.339 4.908 -1.955 18 HE ARG 2 HE ARG 2 16.421 6.734 -3.034 19 HH11 ARG 2 HH21 ARG 2 13.893 4.699 -1.810 20 HH12 ARG 2 HH22 ARG 2 12.617 5.712 -2.395 21 HH21 ARG 2 HH11 ARG 2 14.748 8.057 -3.789 22 HH22 ARG 2 HH12 ARG 2 13.099 7.609 -3.511 23 H PHE 3 HN PHE 3 18.557 2.107 -0.428 24 HA PHE 3 HA PHE 3 18.413 4.482 1.284 25 HB2 PHE 3 HB2 PHE 3 17.949 2.640 2.833 26 HB3 PHE 3 HB1 PHE 3 19.408 1.807 2.300 27 HD1 PHE 3 HD1 PHE 3 18.431 5.254 3.472 28 HD2 PHE 3 HD2 PHE 3 21.273 2.035 3.683 29 HE1 PHE 3 HE1 PHE 3 19.759 6.531 5.129 30 HE2 PHE 3 HE2 PHE 3 22.596 3.314 5.340 31 HZ PHE 3 HZ PHE 3 21.838 5.559 6.063 32 H TYR 4 HN TYR 4 20.117 5.756 0.903 33 HA TYR 4 HA TYR 4 22.659 4.524 0.008 34 HB2 TYR 4 HB2 TYR 4 21.475 7.133 -0.940 35 HB3 TYR 4 HB1 TYR 4 23.122 6.608 -1.269 36 HD1 TYR 4 HD1 TYR 4 19.610 5.249 -1.510 37 HD2 TYR 4 HD2 TYR 4 23.513 5.532 -3.295 38 HE1 TYR 4 HE1 TYR 4 18.817 3.957 -3.476 39 HE2 TYR 4 HE2 TYR 4 22.707 4.248 -5.255 40 HH TYR 4 HH TYR 4 20.268 3.888 -6.341 41 H GLU 5 HN GLU 5 24.400 5.020 1.096 42 HA GLU 5 HA GLU 5 24.906 7.489 2.377 43 HB2 GLU 5 HB2 GLU 5 23.223 6.686 3.985 44 HB3 GLU 5 HB1 GLU 5 24.148 5.202 4.216 45 HG2 GLU 5 HG2 GLU 5 26.057 6.503 5.050 46 HG3 GLU 5 HG1 GLU 5 25.167 7.998 4.783 47 H LYS 6 HN LYS 6 27.049 7.582 3.214 48 HA LYS 6 HA LYS 6 28.698 5.219 2.525 49 HB2 LYS 6 HB2 LYS 6 30.569 6.848 2.265 50 HB3 LYS 6 HB1 LYS 6 29.273 7.019 1.096 51 HG2 LYS 6 HG2 LYS 6 30.035 9.220 1.873 52 HG3 LYS 6 HG1 LYS 6 28.372 8.938 2.359 53 HD2 LYS 6 HD2 LYS 6 29.067 8.466 4.638 54 HD3 LYS 6 HD1 LYS 6 30.771 8.549 4.182 55 HE2 LYS 6 HE2 LYS 6 30.011 10.641 5.241 56 HE3 LYS 6 HE1 LYS 6 30.437 10.921 3.553 57 HZ1 LYS 6 HZ1 LYS 6 28.305 11.299 2.981 58 HZ2 LYS 6 HZ2 LYS 6 28.147 11.711 4.622 59 HZ3 LYS 6 HZ3 LYS 6 27.679 10.169 4.080 60 HAC 4G6 7 HAC 4G6 7 33.115 6.939 5.817 61 HAB 4G6 7 HAB 4G6 7 34.354 5.704 5.479 62 HAA 4G6 7 HAA 4G6 7 33.142 6.113 4.240 63 HAF 4G6 7 HAF 4G6 7 33.868 4.279 7.290 64 HAD 4G6 7 HAD 4G6 7 32.207 3.772 7.683 65 HAE 4G6 7 HAE 4G6 7 32.704 5.466 7.920 66 HAL 4G6 7 HAL 4G6 7 33.308 3.552 4.494 67 HAH 4G6 7 HAH 4G6 7 30.977 6.446 6.396 68 HAG 4G6 7 HAG 4G6 7 30.334 4.793 6.476 69 HAI 4G6 7 HAI 4G6 7 30.964 5.410 3.750 70 HA DPR 8 HA PRO 8 32.817 1.450 3.905 71 HB2 DPR 8 HB2 PRO 8 31.921 -0.189 5.289 72 HB3 DPR 8 HB1 PRO 8 30.315 0.566 5.315 73 HG2 DPR 8 HG2 PRO 8 31.512 -1.259 3.300 74 HG3 DPR 8 HG1 PRO 8 29.819 -1.063 3.778 75 HD2 DPR 8 HD2 PRO 8 31.018 0.026 1.456 76 HD3 DPR 8 HD1 PRO 8 29.439 0.497 2.121 77 H VAL 9 HN VAL 9 28.415 3.376 1.715 78 HA VAL 9 HA VAL 9 30.488 1.906 0.207 79 HB VAL 9 HB VAL 9 30.360 4.921 0.517 80 HG11 VAL 9 HG11 VAL 9 32.391 3.023 -0.659 81 HG12 VAL 9 HG12 VAL 9 32.645 4.292 0.538 82 HG13 VAL 9 HG13 VAL 9 32.318 4.717 -1.141 83 HG21 VAL 9 HG21 VAL 9 30.085 4.924 -1.943 84 HG22 VAL 9 HG22 VAL 9 28.748 4.083 -1.159 85 HG23 VAL 9 HG23 VAL 9 30.037 3.162 -1.936 86 H GLN 10 HN GLN 10 25.917 0.393 -0.347 87 HA GLN 10 HA GLN 10 26.191 3.217 0.468 88 HB2 GLN 10 HB2 GLN 10 26.455 0.816 2.284 89 HB3 GLN 10 HB1 GLN 10 26.894 2.465 2.729 90 HG2 GLN 10 HG2 GLN 10 24.567 3.192 2.258 91 HG3 GLN 10 HG1 GLN 10 24.139 1.528 1.868 92 HE21 GLN 10 HE21 GLN 10 23.081 0.560 3.597 93 HE22 GLN 10 HE22 GLN 10 23.434 0.838 5.233 94 H LYS 11 HN LYS 11 21.803 1.346 -1.299 95 HA LYS 11 HA LYS 11 24.339 -0.148 -1.687 96 HB2 LYS 11 HB2 LYS 11 23.245 0.590 -3.768 97 HB3 LYS 11 HB1 LYS 11 23.261 2.253 -3.186 98 HG2 LYS 11 HG2 LYS 11 25.729 2.205 -3.090 99 HG3 LYS 11 HG1 LYS 11 25.716 0.534 -3.651 100 HD2 LYS 11 HD2 LYS 11 24.618 1.243 -5.744 101 HD3 LYS 11 HD1 LYS 11 24.627 2.914 -5.180 102 HE2 LYS 11 HE2 LYS 11 27.089 2.873 -5.069 103 HE3 LYS 11 HE1 LYS 11 27.088 1.200 -5.628 104 HZ1 LYS 11 HZ1 LYS 11 26.941 3.560 -7.152 105 HZ2 LYS 11 HZ2 LYS 11 25.520 2.662 -7.396 106 HZ3 LYS 11 HZ3 LYS 11 27.036 1.955 -7.692 107 H PHE 12 HN PHE 12 20.025 -2.485 -1.054 108 HA PHE 12 HA PHE 12 20.169 0.389 -0.293 109 HB2 PHE 12 HB2 PHE 12 20.952 -2.085 1.282 110 HB3 PHE 12 HB1 PHE 12 21.166 -0.433 1.828 111 HD1 PHE 12 HD2 PHE 12 18.090 -0.261 0.157 112 HD2 PHE 12 HD1 PHE 12 19.843 -1.958 3.689 113 HE1 PHE 12 HE2 PHE 12 15.880 -0.318 1.207 114 HE2 PHE 12 HE1 PHE 12 17.606 -1.998 4.753 115 HZ PHE 12 HZ PHE 12 15.626 -1.180 3.503 116 H ILE 13 HN ILE 13 16.493 -0.994 -2.898 117 HA ILE 13 HA ILE 13 18.374 -3.126 -2.349 118 HB ILE 13 HB ILE 13 20.073 -2.425 -3.985 119 HG12 ILE 13 HG12 ILE 13 19.327 -0.131 -4.394 120 HG13 ILE 13 HG11 ILE 13 19.449 -1.015 -5.908 121 HG21 ILE 13 HG21 ILE 13 19.210 -3.583 -5.875 122 HG22 ILE 13 HG22 ILE 13 17.548 -3.186 -5.457 123 HG23 ILE 13 HG23 ILE 13 18.466 -4.313 -4.456 124 HD11 ILE 13 HD11 ILE 13 17.393 -0.001 -6.198 125 HD12 ILE 13 HD12 ILE 13 17.015 -0.026 -4.482 126 HD13 ILE 13 HD13 ILE 13 16.867 -1.498 -5.437 127 H ARG 14 HN ARG 14 14.712 -3.106 -5.608 128 HA ARG 14 HA ARG 14 14.478 -1.362 -3.449 129 HB2 ARG 14 HB2 ARG 14 13.989 -2.946 -1.607 130 HB3 ARG 14 HB1 ARG 14 12.604 -2.699 -2.658 131 HG2 ARG 14 HG2 ARG 14 13.303 -4.780 -3.909 132 HG3 ARG 14 HG1 ARG 14 14.514 -5.034 -2.670 133 HD2 ARG 14 HD2 ARG 14 11.526 -4.967 -2.199 134 HD3 ARG 14 HD1 ARG 14 12.506 -6.417 -2.287 135 HE ARG 14 HE ARG 14 13.103 -6.066 -0.093 136 HH11 ARG 14 HH21 ARG 14 11.594 -3.212 -1.323 137 HH12 ARG 14 HH22 ARG 14 11.867 -2.289 0.113 138 HH21 ARG 14 HH11 ARG 14 13.434 -4.875 1.796 139 HH22 ARG 14 HH12 ARG 14 12.905 -3.227 1.881 140 H VAL 15 HN VAL 15 11.709 -4.613 -6.141 141 HA VAL 15 HA VAL 15 13.417 -2.658 -7.417 142 HB VAL 15 HB VAL 15 11.899 -0.703 -7.139 143 HG11 VAL 15 HG11 VAL 15 10.743 -0.926 -9.186 144 HG12 VAL 15 HG12 VAL 15 10.566 -2.665 -9.011 145 HG13 VAL 15 HG13 VAL 15 12.153 -1.963 -9.358 146 HG21 VAL 15 HG21 VAL 15 9.321 -1.630 -7.203 147 HG22 VAL 15 HG22 VAL 15 10.133 -1.141 -5.722 148 HG23 VAL 15 HG23 VAL 15 10.064 -2.847 -6.165 149 H8 4FU 16 HAM 4FU 16 10.948 -6.184 -6.093 150 H9 4FU 16 HAI 4FU 16 10.824 -8.808 -6.232 151 HAI 4FU 16 HAJ 4FU 16 9.465 -7.820 -6.795 152 H112 4FU 16 HAE 4FU 16 9.805 -8.344 -8.996 153 H111 4FU 16 HAF 4FU 16 10.472 -9.813 -8.251 154 HAG 4FU 16 HAG 4FU 16 12.744 -8.815 -8.359 155 H12 4FU 16 HAH 4FU 16 11.993 -8.962 -9.964 156 HAL 4FU 16 HAL 4FU 16 11.775 -6.700 -10.222 157 HAK 4FU 16 HAK 4FU 16 13.177 -6.699 -9.135 158 H14 4FU 16 HAN 4FU 16 10.301 -6.065 -8.546 159 H GLY 17 HN GLY 17 13.381 -5.307 -6.540 160 HA2 GLY 17 HA2 GLY 17 15.493 -7.162 -6.761 161 HA3 GLY 17 HA1 GLY 17 15.605 -5.579 -5.981 162 H VAL 18 HN VAL 18 16.409 -5.858 -3.953 163 HA VAL 18 HA VAL 18 14.861 -7.320 -2.084 164 HB VAL 18 HB VAL 18 15.996 -9.223 -3.184 165 HG11 VAL 18 HG11 VAL 18 18.363 -9.445 -3.270 166 HG12 VAL 18 HG12 VAL 18 18.605 -8.073 -2.189 167 HG13 VAL 18 HG13 VAL 18 18.011 -7.810 -3.828 168 HG21 VAL 18 HG21 VAL 18 17.413 -9.034 -0.540 169 HG22 VAL 18 HG22 VAL 18 16.514 -10.377 -1.236 170 HG23 VAL 18 HG23 VAL 18 15.646 -9.005 -0.553 171 H THR 19 HN THR 19 16.552 -7.620 0.059 172 HA THR 19 HA THR 19 17.631 -4.886 0.423 173 HB THR 19 HB THR 19 17.400 -5.323 2.831 174 HG1 THR 19 HG1 THR 19 15.871 -7.541 2.589 175 HG21 THR 19 HG21 THR 19 15.094 -4.995 2.924 176 HG22 THR 19 HG22 THR 19 14.780 -6.168 1.650 177 HG23 THR 19 HG23 THR 19 15.427 -4.579 1.242 178 H ILE 20 HN ILE 20 19.717 -4.791 0.084 179 HA ILE 20 HA ILE 20 21.524 -6.546 1.559 180 HB ILE 20 HB ILE 20 21.259 -7.681 -0.624 181 HG12 ILE 20 HG12 ILE 20 23.920 -6.241 -0.344 182 HG13 ILE 20 HG11 ILE 20 23.461 -7.704 0.527 183 HG21 ILE 20 HG21 ILE 20 20.682 -5.511 -1.830 184 HG22 ILE 20 HG22 ILE 20 21.787 -6.587 -2.686 185 HG23 ILE 20 HG23 ILE 20 22.412 -5.165 -1.848 186 HD11 ILE 20 HD11 ILE 20 23.860 -7.367 -2.452 187 HD12 ILE 20 HD12 ILE 20 23.053 -8.772 -1.755 188 HD13 ILE 20 HD13 ILE 20 24.738 -8.435 -1.356 189 H ARG 21 HN ARG 21 23.188 -5.365 2.355 190 HA ARG 21 HA ARG 21 23.503 -2.598 1.365 191 HB2 ARG 21 HB2 ARG 21 22.752 -2.847 3.647 192 HB3 ARG 21 HB1 ARG 21 24.155 -3.838 4.050 193 HG2 ARG 21 HG2 ARG 21 25.625 -1.935 3.413 194 HG3 ARG 21 HG1 ARG 21 24.199 -0.963 3.099 195 HD2 ARG 21 HD2 ARG 21 24.994 -2.141 5.772 196 HD3 ARG 21 HD1 ARG 21 25.196 -0.463 5.309 197 HE ARG 21 HE ARG 21 22.954 -0.117 5.821 198 HH11 ARG 21 HH21 ARG 21 23.645 -3.510 5.748 199 HH12 ARG 21 HH22 ARG 21 22.015 -3.982 6.096 200 HH21 ARG 21 HH11 ARG 21 20.832 -0.730 6.288 201 HH22 ARG 21 HH12 ARG 21 20.425 -2.409 6.402 202 H GLU 22 HN GLU 22 25.251 -2.228 0.179 203 HA GLU 22 HA GLU 22 27.838 -3.103 1.009 204 HB2 GLU 22 HB2 GLU 22 28.362 -4.496 -0.978 205 HB3 GLU 22 HB1 GLU 22 27.150 -5.218 0.074 206 HG2 GLU 22 HG2 GLU 22 26.471 -5.463 -2.264 207 HG3 GLU 22 HG1 GLU 22 25.364 -4.378 -1.431 208 H LYS 23 HN LYS 23 29.524 -2.635 -0.751 209 HA LYS 23 HA LYS 23 30.038 -0.129 -1.249 210 HB2 LYS 23 HB2 LYS 23 31.407 -1.956 -2.149 211 HB3 LYS 23 HB1 LYS 23 30.219 -2.227 -3.422 212 HG2 LYS 23 HG2 LYS 23 30.605 0.050 -4.282 213 HG3 LYS 23 HG1 LYS 23 31.777 0.338 -2.996 214 HD2 LYS 23 HD2 LYS 23 33.164 -1.515 -3.843 215 HD3 LYS 23 HD1 LYS 23 31.989 -1.810 -5.126 216 HE2 LYS 23 HE2 LYS 23 32.355 0.465 -5.991 217 HE3 LYS 23 HE1 LYS 23 33.530 0.766 -4.711 218 HZ1 LYS 23 HZ1 LYS 23 33.780 -0.843 -7.120 219 HZ2 LYS 23 HZ2 LYS 23 34.494 -1.486 -5.719 220 HZ3 LYS 23 HZ3 LYS 23 34.955 0.049 -6.284 221 HN1 NH2 24 H2 LYS 23 27.956 1.606 -3.456 222 HN2 NH2 24 H1 LYS 23 29.379 1.627 -2.547 Start of MODEL 9 1 H1 ACE 0 HA2 ACE 0 12.568 -1.555 0.202 2 H2 ACE 0 HA3 ACE 0 11.138 -0.527 0.306 3 H3 ACE 0 HA1 ACE 0 12.742 0.169 0.530 4 H GLU 1 HN GLU 1 13.707 1.054 -1.206 5 HA GLU 1 HA GLU 1 13.311 0.045 -3.866 6 HB2 GLU 1 HB2 GLU 1 12.346 2.140 -4.787 7 HB3 GLU 1 HB1 GLU 1 11.251 1.306 -3.687 8 HG2 GLU 1 HG2 GLU 1 11.934 2.825 -1.860 9 HG3 GLU 1 HG1 GLU 1 13.011 3.668 -2.963 10 H ARG 2 HN ARG 2 14.467 2.707 -1.866 11 HA ARG 2 HA ARG 2 16.991 2.741 -3.418 12 HB2 ARG 2 HB2 ARG 2 15.342 5.135 -2.576 13 HB3 ARG 2 HB1 ARG 2 16.961 5.220 -3.246 14 HG2 ARG 2 HG2 ARG 2 16.182 4.105 -5.303 15 HG3 ARG 2 HG1 ARG 2 14.558 4.002 -4.632 16 HD2 ARG 2 HD2 ARG 2 14.466 6.466 -4.486 17 HD3 ARG 2 HD1 ARG 2 16.085 6.562 -5.173 18 HE ARG 2 HE ARG 2 14.467 5.062 -6.924 19 HH11 ARG 2 HH21 ARG 2 14.805 8.265 -5.658 20 HH12 ARG 2 HH22 ARG 2 14.159 9.039 -7.066 21 HH21 ARG 2 HH11 ARG 2 13.618 6.072 -8.776 22 HH22 ARG 2 HH12 ARG 2 13.487 7.798 -8.831 23 H PHE 3 HN PHE 3 18.843 2.892 -2.126 24 HA PHE 3 HA PHE 3 18.538 3.925 0.606 25 HB2 PHE 3 HB2 PHE 3 17.952 1.490 0.710 26 HB3 PHE 3 HB1 PHE 3 19.563 1.115 0.125 27 HD1 PHE 3 HD2 PHE 3 19.985 3.967 2.259 28 HD2 PHE 3 HD1 PHE 3 19.141 -0.261 2.376 29 HE1 PHE 3 HE2 PHE 3 20.745 3.869 4.590 30 HE2 PHE 3 HE1 PHE 3 19.909 -0.331 4.724 31 HZ PHE 3 HZ PHE 3 20.712 1.731 5.830 32 H TYR 4 HN TYR 4 20.024 5.549 0.074 33 HA TYR 4 HA TYR 4 22.828 4.654 -0.359 34 HB2 TYR 4 HB2 TYR 4 21.951 5.822 -2.349 35 HB3 TYR 4 HB1 TYR 4 21.516 7.205 -1.345 36 HD1 TYR 4 HD1 TYR 4 24.510 4.988 -1.907 37 HD2 TYR 4 HD2 TYR 4 23.034 8.987 -1.338 38 HE1 TYR 4 HE1 TYR 4 26.813 5.872 -2.122 39 HE2 TYR 4 HE2 TYR 4 25.342 9.867 -1.560 40 HH TYR 4 HH TYR 4 28.071 7.702 -2.291 41 H GLU 5 HN GLU 5 23.937 4.931 1.451 42 HA GLU 5 HA GLU 5 24.137 7.431 2.764 43 HB2 GLU 5 HB2 GLU 5 21.949 6.807 3.635 44 HB3 GLU 5 HB1 GLU 5 22.560 5.233 4.114 45 HG2 GLU 5 HG2 GLU 5 22.378 6.735 6.039 46 HG3 GLU 5 HG1 GLU 5 24.045 6.284 5.748 47 H LYS 6 HN LYS 6 25.596 7.212 4.750 48 HA LYS 6 HA LYS 6 27.473 4.952 4.333 49 HB2 LYS 6 HB2 LYS 6 29.151 6.387 5.382 50 HB3 LYS 6 HB1 LYS 6 28.466 7.165 3.959 51 HG2 LYS 6 HG2 LYS 6 26.904 8.430 5.438 52 HG3 LYS 6 HG1 LYS 6 27.680 7.708 6.840 53 HD2 LYS 6 HD2 LYS 6 29.052 9.485 4.803 54 HD3 LYS 6 HD1 LYS 6 28.528 9.988 6.405 55 HE2 LYS 6 HE2 LYS 6 30.649 7.894 5.800 56 HE3 LYS 6 HE1 LYS 6 30.920 9.509 6.424 57 HZ1 LYS 6 HZ1 LYS 6 30.684 8.672 8.437 58 HZ2 LYS 6 HZ2 LYS 6 30.173 7.167 7.838 59 HZ3 LYS 6 HZ3 LYS 6 29.045 8.410 8.095 60 HAC 4G6 7 HAC 4G6 7 28.064 5.509 9.093 61 HAB 4G6 7 HAB 4G6 7 28.314 4.554 10.575 62 HAA 4G6 7 HAA 4G6 7 29.708 5.020 9.572 63 HAF 4G6 7 HAF 4G6 7 29.455 2.056 10.110 64 HAD 4G6 7 HAD 4G6 7 28.089 1.364 9.201 65 HAE 4G6 7 HAE 4G6 7 27.787 2.489 10.548 66 HAL 4G6 7 HAL 4G6 7 30.219 4.072 7.629 67 HAH 4G6 7 HAH 4G6 7 26.475 4.098 8.528 68 HAG 4G6 7 HAG 4G6 7 26.799 2.481 7.868 69 HAI 4G6 7 HAI 4G6 7 27.894 3.566 5.942 70 HA DPR 8 HA PRO 8 31.648 3.142 6.469 71 HB2 DPR 8 HB2 PRO 8 33.143 1.385 6.492 72 HB3 DPR 8 HB1 PRO 8 31.973 0.665 7.615 73 HG2 DPR 8 HG2 PRO 8 32.679 -0.558 5.331 74 HG3 DPR 8 HG1 PRO 8 31.045 -0.688 6.003 75 HD2 DPR 8 HD2 PRO 8 31.968 0.815 3.600 76 HD3 DPR 8 HD1 PRO 8 30.353 0.174 3.981 77 H VAL 9 HN VAL 9 27.887 3.531 2.519 78 HA VAL 9 HA VAL 9 30.308 1.835 2.363 79 HB VAL 9 HB VAL 9 31.539 3.938 2.051 80 HG11 VAL 9 HG11 VAL 9 29.193 3.412 0.209 81 HG12 VAL 9 HG12 VAL 9 30.817 2.739 0.082 82 HG13 VAL 9 HG13 VAL 9 30.551 4.457 -0.211 83 HG21 VAL 9 HG21 VAL 9 30.303 5.637 3.112 84 HG22 VAL 9 HG22 VAL 9 28.778 5.099 2.410 85 HG23 VAL 9 HG23 VAL 9 29.963 5.939 1.412 86 H GLN 10 HN GLN 10 26.553 0.509 -0.005 87 HA GLN 10 HA GLN 10 25.981 2.641 1.965 88 HB2 GLN 10 HB2 GLN 10 25.937 -0.330 2.540 89 HB3 GLN 10 HB1 GLN 10 25.834 0.946 3.752 90 HG2 GLN 10 HG2 GLN 10 23.767 1.781 2.694 91 HG3 GLN 10 HG1 GLN 10 23.868 0.494 1.492 92 HE21 GLN 10 HE21 GLN 10 22.388 1.261 4.385 93 HE22 GLN 10 HE22 GLN 10 22.094 -0.309 4.959 94 H LYS 11 HN LYS 11 23.569 2.684 -2.565 95 HA LYS 11 HA LYS 11 25.304 0.397 -1.817 96 HB2 LYS 11 HB2 LYS 11 26.071 3.163 -2.708 97 HB3 LYS 11 HB1 LYS 11 27.205 1.901 -2.242 98 HG2 LYS 11 HG2 LYS 11 26.283 0.440 -4.036 99 HG3 LYS 11 HG1 LYS 11 25.228 1.755 -4.536 100 HD2 LYS 11 HD2 LYS 11 28.263 1.846 -4.544 101 HD3 LYS 11 HD1 LYS 11 27.254 1.593 -5.961 102 HE2 LYS 11 HE2 LYS 11 27.304 4.100 -4.239 103 HE3 LYS 11 HE1 LYS 11 27.974 3.923 -5.849 104 HZ1 LYS 11 HZ1 LYS 11 25.561 3.139 -6.395 105 HZ2 LYS 11 HZ2 LYS 11 25.957 4.791 -6.356 106 HZ3 LYS 11 HZ3 LYS 11 25.170 4.071 -5.033 107 H PHE 12 HN PHE 12 21.294 -0.845 -3.927 108 HA PHE 12 HA PHE 12 22.200 1.504 -4.605 109 HB2 PHE 12 HB2 PHE 12 20.432 2.156 -2.323 110 HB3 PHE 12 HB1 PHE 12 21.899 3.075 -2.586 111 HD1 PHE 12 HD2 PHE 12 20.768 2.111 -5.866 112 HD2 PHE 12 HD1 PHE 12 19.851 4.788 -2.611 113 HE1 PHE 12 HE2 PHE 12 19.627 3.619 -7.425 114 HE2 PHE 12 HE1 PHE 12 18.718 6.299 -4.211 115 HZ PHE 12 HZ PHE 12 18.598 5.712 -6.607 116 H ILE 13 HN ILE 13 16.894 -0.896 -4.139 117 HA ILE 13 HA ILE 13 19.665 -1.924 -4.296 118 HB ILE 13 HB ILE 13 19.679 -1.094 -6.652 119 HG12 ILE 13 HG12 ILE 13 17.471 -0.885 -7.792 120 HG13 ILE 13 HG11 ILE 13 16.682 -0.853 -6.226 121 HG21 ILE 13 HG21 ILE 13 19.402 -3.438 -6.074 122 HG22 ILE 13 HG22 ILE 13 18.444 -3.032 -7.498 123 HG23 ILE 13 HG23 ILE 13 17.662 -3.209 -5.932 124 HD11 ILE 13 HD11 ILE 13 17.308 1.310 -5.818 125 HD12 ILE 13 HD12 ILE 13 17.381 1.367 -7.572 126 HD13 ILE 13 HD13 ILE 13 18.855 1.130 -6.649 127 H ARG 14 HN ARG 14 17.181 -3.575 -0.646 128 HA ARG 14 HA ARG 14 15.585 -2.847 -2.914 129 HB2 ARG 14 HB2 ARG 14 15.746 -0.437 -2.626 130 HB3 ARG 14 HB1 ARG 14 14.710 -1.185 -1.430 131 HG2 ARG 14 HG2 ARG 14 17.585 -0.327 -0.962 132 HG3 ARG 14 HG1 ARG 14 16.171 0.604 -0.494 133 HD2 ARG 14 HD2 ARG 14 16.952 -2.121 0.604 134 HD3 ARG 14 HD1 ARG 14 17.025 -0.592 1.436 135 HE ARG 14 HE ARG 14 14.391 -0.966 0.556 136 HH11 ARG 14 HH21 ARG 14 16.721 -2.297 2.746 137 HH12 ARG 14 HH22 ARG 14 15.537 -2.875 3.870 138 HH21 ARG 14 HH11 ARG 14 12.836 -1.715 2.031 139 HH22 ARG 14 HH12 ARG 14 13.338 -2.546 3.466 140 H VAL 15 HN VAL 15 13.507 -5.746 0.252 141 HA VAL 15 HA VAL 15 15.734 -4.253 1.457 142 HB VAL 15 HB VAL 15 17.322 -5.538 0.063 143 HG11 VAL 15 HG11 VAL 15 17.368 -7.496 1.473 144 HG12 VAL 15 HG12 VAL 15 15.635 -7.379 1.785 145 HG13 VAL 15 HG13 VAL 15 16.735 -6.171 2.450 146 HG21 VAL 15 HG21 VAL 15 14.777 -6.980 -0.699 147 HG22 VAL 15 HG22 VAL 15 16.324 -7.817 -0.759 148 HG23 VAL 15 HG23 VAL 15 16.064 -6.378 -1.735 149 H8 4FU 16 HAM 4FU 16 10.235 -5.937 1.853 150 H9 4FU 16 HAI 4FU 16 12.088 -3.530 1.918 151 HAI 4FU 16 HAJ 4FU 16 10.349 -3.492 1.545 152 H112 4FU 16 HAE 4FU 16 9.828 -4.414 3.766 153 H111 4FU 16 HAF 4FU 16 10.761 -2.906 3.903 154 HAG 4FU 16 HAG 4FU 16 12.830 -4.198 4.245 155 H12 4FU 16 HAH 4FU 16 11.597 -4.654 5.442 156 HAL 4FU 16 HAL 4FU 16 10.982 -6.610 4.094 157 HAK 4FU 16 HAK 4FU 16 12.715 -6.653 4.488 158 H14 4FU 16 HAN 4FU 16 12.327 -7.226 2.124 159 H GLY 17 HN GLY 17 11.368 -7.510 0.166 160 HA2 GLY 17 HA2 GLY 17 10.865 -7.179 -2.324 161 HA3 GLY 17 HA1 GLY 17 12.171 -5.998 -2.264 162 H VAL 18 HN VAL 18 13.033 -7.479 -3.968 163 HA VAL 18 HA VAL 18 14.684 -9.603 -2.725 164 HB VAL 18 HB VAL 18 12.875 -10.681 -3.966 165 HG11 VAL 18 HG11 VAL 18 12.801 -8.565 -5.618 166 HG12 VAL 18 HG12 VAL 18 12.247 -10.155 -6.134 167 HG13 VAL 18 HG13 VAL 18 13.853 -9.595 -6.591 168 HG21 VAL 18 HG21 VAL 18 15.423 -10.859 -5.593 169 HG22 VAL 18 HG22 VAL 18 14.242 -12.134 -5.294 170 HG23 VAL 18 HG23 VAL 18 15.267 -11.556 -3.981 171 H THR 19 HN THR 19 16.273 -7.928 -2.586 172 HA THR 19 HA THR 19 18.104 -7.944 -4.743 173 HB THR 19 HB THR 19 16.585 -6.375 -5.768 174 HG1 THR 19 HG1 THR 19 18.572 -5.790 -6.249 175 HG21 THR 19 HG21 THR 19 15.423 -5.583 -3.773 176 HG22 THR 19 HG22 THR 19 16.059 -4.223 -4.682 177 HG23 THR 19 HG23 THR 19 16.885 -4.762 -3.218 178 H ILE 20 HN ILE 20 19.873 -6.037 -4.253 179 HA ILE 20 HA ILE 20 20.268 -5.995 -1.315 180 HB ILE 20 HB ILE 20 22.630 -6.485 -1.711 181 HG12 ILE 20 HG12 ILE 20 21.769 -6.899 -4.586 182 HG13 ILE 20 HG11 ILE 20 22.786 -5.578 -4.010 183 HG21 ILE 20 HG21 ILE 20 20.846 -8.277 -1.354 184 HG22 ILE 20 HG22 ILE 20 22.354 -8.824 -2.086 185 HG23 ILE 20 HG23 ILE 20 20.930 -8.563 -3.092 186 HD11 ILE 20 HD11 ILE 20 24.251 -7.280 -4.891 187 HD12 ILE 20 HD12 ILE 20 23.434 -8.536 -3.960 188 HD13 ILE 20 HD13 ILE 20 24.398 -7.313 -3.133 189 H ARG 21 HN ARG 21 22.006 -4.575 -0.602 190 HA ARG 21 HA ARG 21 22.769 -2.401 -2.254 191 HB2 ARG 21 HB2 ARG 21 21.752 -0.635 -0.688 192 HB3 ARG 21 HB1 ARG 21 20.735 -1.384 -1.904 193 HG2 ARG 21 HG2 ARG 21 19.572 -1.177 0.265 194 HG3 ARG 21 HG1 ARG 21 19.734 -2.845 -0.229 195 HD2 ARG 21 HD2 ARG 21 21.538 -1.488 1.784 196 HD3 ARG 21 HD1 ARG 21 20.135 -2.464 2.200 197 HE ARG 21 HE ARG 21 21.762 -3.964 0.488 198 HH11 ARG 21 HH21 ARG 21 21.805 -2.565 3.648 199 HH12 ARG 21 HH22 ARG 21 22.796 -3.807 4.337 200 HH21 ARG 21 HH11 ARG 21 23.048 -5.608 1.382 201 HH22 ARG 21 HH12 ARG 21 23.500 -5.533 3.053 202 H GLU 22 HN GLU 22 24.816 -2.738 -1.907 203 HA GLU 22 HA GLU 22 25.933 -1.980 0.721 204 HB2 GLU 22 HB2 GLU 22 26.786 -4.434 -0.838 205 HB3 GLU 22 HB1 GLU 22 27.563 -3.828 0.617 206 HG2 GLU 22 HG2 GLU 22 24.686 -4.772 0.469 207 HG3 GLU 22 HG1 GLU 22 26.027 -5.750 1.047 208 H LYS 23 HN LYS 23 28.534 -2.146 0.376 209 HA LYS 23 HA LYS 23 30.364 -1.124 -0.566 210 HB2 LYS 23 HB2 LYS 23 28.879 -1.491 -3.186 211 HB3 LYS 23 HB1 LYS 23 30.593 -1.167 -2.993 212 HG2 LYS 23 HG2 LYS 23 29.186 -3.653 -2.002 213 HG3 LYS 23 HG1 LYS 23 30.141 -3.548 -3.476 214 HD2 LYS 23 HD2 LYS 23 32.125 -2.911 -2.108 215 HD3 LYS 23 HD1 LYS 23 31.160 -3.127 -0.650 216 HE2 LYS 23 HE2 LYS 23 30.730 -5.458 -1.245 217 HE3 LYS 23 HE1 LYS 23 31.700 -5.262 -2.707 218 HZ1 LYS 23 HZ1 LYS 23 32.543 -5.589 0.025 219 HZ2 LYS 23 HZ2 LYS 23 33.328 -4.319 -0.786 220 HZ3 LYS 23 HZ3 LYS 23 33.386 -5.896 -1.415 221 HN1 NH2 24 H2 LYS 23 28.217 1.957 -0.470 222 HN2 NH2 24 H1 LYS 23 28.044 0.469 0.314 Start of MODEL 10 1 H1 ACE 0 HA2 ACE 0 10.352 0.539 -2.037 2 H2 ACE 0 HA3 ACE 0 10.978 1.864 -3.017 3 H3 ACE 0 HA1 ACE 0 9.484 2.071 -2.105 4 H GLU 1 HN GLU 1 12.567 0.612 -1.105 5 HA GLU 1 HA GLU 1 13.026 2.826 0.795 6 HB2 GLU 1 HB2 GLU 1 11.812 1.060 2.023 7 HB3 GLU 1 HB1 GLU 1 13.034 -0.114 1.537 8 HG2 GLU 1 HG2 GLU 1 14.766 1.196 2.717 9 HG3 GLU 1 HG1 GLU 1 13.547 2.375 3.193 10 H ARG 2 HN ARG 2 15.135 3.366 1.016 11 HA ARG 2 HA ARG 2 17.158 1.575 -0.203 12 HB2 ARG 2 HB2 ARG 2 17.222 4.611 -0.256 13 HB3 ARG 2 HB1 ARG 2 18.456 3.547 -0.895 14 HG2 ARG 2 HG2 ARG 2 17.208 4.360 -2.768 15 HG3 ARG 2 HG1 ARG 2 16.727 2.690 -2.535 16 HD2 ARG 2 HD2 ARG 2 14.652 3.422 -1.448 17 HD3 ARG 2 HD1 ARG 2 15.154 5.091 -1.560 18 HE ARG 2 HE ARG 2 14.339 5.056 -3.712 19 HH11 ARG 2 HH21 ARG 2 15.144 1.833 -2.724 20 HH12 ARG 2 HH22 ARG 2 14.674 1.113 -4.228 21 HH21 ARG 2 HH11 ARG 2 13.726 4.113 -5.676 22 HH22 ARG 2 HH12 ARG 2 13.877 2.402 -5.897 23 H PHE 3 HN PHE 3 19.379 1.865 0.691 24 HA PHE 3 HA PHE 3 19.286 2.843 3.510 25 HB2 PHE 3 HB2 PHE 3 19.525 0.354 3.266 26 HB3 PHE 3 HB1 PHE 3 21.016 0.655 2.399 27 HD1 PHE 3 HD2 PHE 3 20.942 3.171 4.933 28 HD2 PHE 3 HD1 PHE 3 21.528 -1.063 4.380 29 HE1 PHE 3 HE2 PHE 3 22.199 3.069 7.034 30 HE2 PHE 3 HE1 PHE 3 22.779 -1.147 6.512 31 HZ PHE 3 HZ PHE 3 23.120 0.917 7.836 32 H TYR 4 HN TYR 4 20.255 4.683 3.509 33 HA TYR 4 HA TYR 4 21.699 6.345 3.301 34 HB2 TYR 4 HB2 TYR 4 23.030 4.813 4.700 35 HB3 TYR 4 HB1 TYR 4 23.805 4.209 3.236 36 HD1 TYR 4 HD1 TYR 4 22.967 7.556 4.756 37 HD2 TYR 4 HD2 TYR 4 25.925 5.166 2.756 38 HE1 TYR 4 HE1 TYR 4 24.566 9.439 4.854 39 HE2 TYR 4 HE2 TYR 4 27.520 7.050 2.861 40 HH TYR 4 HH TYR 4 27.608 9.365 3.154 41 H GLU 5 HN GLU 5 24.426 5.490 1.838 42 HA GLU 5 HA GLU 5 23.611 5.965 -0.918 43 HB2 GLU 5 HB2 GLU 5 25.404 7.886 0.566 44 HB3 GLU 5 HB1 GLU 5 25.059 7.927 -1.160 45 HG2 GLU 5 HG2 GLU 5 22.655 8.278 -0.657 46 HG3 GLU 5 HG1 GLU 5 23.029 8.282 1.064 47 H LYS 6 HN LYS 6 25.581 6.123 -2.358 48 HA LYS 6 HA LYS 6 27.765 4.361 -1.387 49 HB2 LYS 6 HB2 LYS 6 27.960 3.515 -3.688 50 HB3 LYS 6 HB1 LYS 6 26.352 3.206 -3.043 51 HG2 LYS 6 HG2 LYS 6 25.497 5.208 -4.217 52 HG3 LYS 6 HG1 LYS 6 27.106 5.499 -4.880 53 HD2 LYS 6 HD2 LYS 6 27.046 3.295 -5.995 54 HD3 LYS 6 HD1 LYS 6 25.428 3.018 -5.350 55 HE2 LYS 6 HE2 LYS 6 26.211 5.300 -7.188 56 HE3 LYS 6 HE1 LYS 6 25.335 3.850 -7.678 57 HZ1 LYS 6 HZ1 LYS 6 24.407 6.167 -6.214 58 HZ2 LYS 6 HZ2 LYS 6 23.874 4.674 -5.601 59 HZ3 LYS 6 HZ3 LYS 6 23.549 5.098 -7.213 60 HAC 4G6 7 HAC 4G6 7 33.470 5.252 -3.331 61 HAB 4G6 7 HAB 4G6 7 31.905 4.436 -3.100 62 HAA 4G6 7 HAA 4G6 7 32.089 5.664 -4.375 63 HAF 4G6 7 HAF 4G6 7 33.069 8.148 -1.614 64 HAD 4G6 7 HAD 4G6 7 32.398 8.391 -3.246 65 HAE 4G6 7 HAE 4G6 7 33.824 7.351 -3.013 66 HAL 4G6 7 HAL 4G6 7 32.942 5.480 -0.765 67 HAH 4G6 7 HAH 4G6 7 30.450 7.058 -3.786 68 HAG 4G6 7 HAG 4G6 7 30.308 7.810 -2.184 69 HAI 4G6 7 HAI 4G6 7 29.858 5.049 -1.805 70 HA DPR 8 HA PRO 8 32.613 5.414 1.409 71 HB2 DPR 8 HB2 PRO 8 31.815 7.141 2.746 72 HB3 DPR 8 HB1 PRO 8 30.154 6.978 2.142 73 HG2 DPR 8 HG2 PRO 8 31.544 5.458 4.283 74 HG3 DPR 8 HG1 PRO 8 29.826 5.849 4.113 75 HD2 DPR 8 HD2 PRO 8 31.042 3.356 3.483 76 HD3 DPR 8 HD1 PRO 8 29.395 3.855 3.037 77 H VAL 9 HN VAL 9 28.064 3.024 0.890 78 HA VAL 9 HA VAL 9 30.441 1.652 1.926 79 HB VAL 9 HB VAL 9 29.562 0.104 0.256 80 HG11 VAL 9 HG11 VAL 9 28.947 0.677 -1.907 81 HG12 VAL 9 HG12 VAL 9 30.009 2.078 -1.966 82 HG13 VAL 9 HG13 VAL 9 28.495 2.158 -1.067 83 HG21 VAL 9 HG21 VAL 9 32.099 0.728 0.517 84 HG22 VAL 9 HG22 VAL 9 31.906 1.456 -1.078 85 HG23 VAL 9 HG23 VAL 9 31.595 -0.263 -0.852 86 H GLN 10 HN GLN 10 25.740 0.174 1.514 87 HA GLN 10 HA GLN 10 26.283 2.961 2.365 88 HB2 GLN 10 HB2 GLN 10 24.980 1.695 4.053 89 HB3 GLN 10 HB1 GLN 10 26.201 0.428 4.033 90 HG2 GLN 10 HG2 GLN 10 26.559 1.913 5.942 91 HG3 GLN 10 HG1 GLN 10 27.892 2.064 4.804 92 HE21 GLN 10 HE21 GLN 10 28.476 4.215 4.522 93 HE22 GLN 10 HE22 GLN 10 27.402 5.527 4.548 94 H LYS 11 HN LYS 11 22.194 1.186 0.554 95 HA LYS 11 HA LYS 11 24.631 -0.210 -0.099 96 HB2 LYS 11 HB2 LYS 11 25.184 1.550 -1.926 97 HB3 LYS 11 HB1 LYS 11 24.235 0.130 -2.326 98 HG2 LYS 11 HG2 LYS 11 23.292 2.201 -3.301 99 HG3 LYS 11 HG1 LYS 11 22.179 1.399 -2.208 100 HD2 LYS 11 HD2 LYS 11 22.701 3.003 -0.461 101 HD3 LYS 11 HD1 LYS 11 23.886 3.786 -1.507 102 HE2 LYS 11 HE2 LYS 11 21.706 4.989 -1.537 103 HE3 LYS 11 HE1 LYS 11 22.081 4.313 -3.120 104 HZ1 LYS 11 HZ1 LYS 11 19.758 3.969 -2.062 105 HZ2 LYS 11 HZ2 LYS 11 20.529 2.733 -1.188 106 HZ3 LYS 11 HZ3 LYS 11 20.503 2.691 -2.885 107 H PHE 12 HN PHE 12 19.995 -2.298 -1.286 108 HA PHE 12 HA PHE 12 20.298 0.173 0.309 109 HB2 PHE 12 HB2 PHE 12 20.722 -2.745 0.962 110 HB3 PHE 12 HB1 PHE 12 21.177 -1.472 2.058 111 HD1 PHE 12 HD2 PHE 12 18.234 -0.278 0.489 112 HD2 PHE 12 HD1 PHE 12 19.517 -3.227 3.331 113 HE1 PHE 12 HE2 PHE 12 16.003 -0.306 1.433 114 HE2 PHE 12 HE1 PHE 12 17.228 -3.236 4.290 115 HZ PHE 12 HZ PHE 12 15.481 -1.756 3.319 116 H ILE 13 HN ILE 13 16.559 -0.304 -2.463 117 HA ILE 13 HA ILE 13 18.523 -2.425 -2.718 118 HB ILE 13 HB ILE 13 19.954 -1.234 -4.338 119 HG12 ILE 13 HG12 ILE 13 18.875 0.454 -5.859 120 HG13 ILE 13 HG11 ILE 13 17.542 0.570 -4.723 121 HG21 ILE 13 HG21 ILE 13 18.318 -3.048 -4.957 122 HG22 ILE 13 HG22 ILE 13 18.778 -1.978 -6.280 123 HG23 ILE 13 HG23 ILE 13 17.216 -1.779 -5.490 124 HD11 ILE 13 HD11 ILE 13 20.184 0.964 -3.467 125 HD12 ILE 13 HD12 ILE 13 18.716 1.936 -3.348 126 HD13 ILE 13 HD13 ILE 13 19.797 2.146 -4.708 127 H ARG 14 HN ARG 14 14.294 -2.757 -4.893 128 HA ARG 14 HA ARG 14 14.455 -0.693 -3.090 129 HB2 ARG 14 HB2 ARG 14 14.686 -1.682 -0.894 130 HB3 ARG 14 HB1 ARG 14 13.069 -1.978 -1.493 131 HG2 ARG 14 HG2 ARG 14 15.324 -3.999 -1.588 132 HG3 ARG 14 HG1 ARG 14 14.104 -3.931 -0.327 133 HD2 ARG 14 HD2 ARG 14 13.581 -4.446 -3.265 134 HD3 ARG 14 HD1 ARG 14 13.548 -5.640 -1.982 135 HE ARG 14 HE ARG 14 11.801 -3.517 -1.318 136 HH11 ARG 14 HH21 ARG 14 12.148 -6.272 -3.378 137 HH12 ARG 14 HH22 ARG 14 10.449 -6.439 -3.670 138 HH21 ARG 14 HH11 ARG 14 9.573 -3.731 -1.694 139 HH22 ARG 14 HH12 ARG 14 8.992 -5.001 -2.718 140 H VAL 15 HN VAL 15 11.446 -4.673 -4.495 141 HA VAL 15 HA VAL 15 12.526 -2.674 -6.332 142 HB VAL 15 HB VAL 15 9.852 -2.223 -4.976 143 HG11 VAL 15 HG11 VAL 15 11.744 -0.431 -6.509 144 HG12 VAL 15 HG12 VAL 15 11.008 -0.149 -4.933 145 HG13 VAL 15 HG13 VAL 15 10.024 -0.064 -6.390 146 HG21 VAL 15 HG21 VAL 15 10.660 -2.596 -7.874 147 HG22 VAL 15 HG22 VAL 15 9.136 -1.852 -7.401 148 HG23 VAL 15 HG23 VAL 15 9.469 -3.523 -6.959 149 H8 4FU 16 HAM 4FU 16 11.819 -8.455 -6.978 150 H9 4FU 16 HAI 4FU 16 11.825 -6.079 -8.878 151 HAI 4FU 16 HAJ 4FU 16 12.126 -7.776 -9.300 152 H112 4FU 16 HAE 4FU 16 9.877 -8.407 -8.575 153 H111 4FU 16 HAF 4FU 16 9.801 -7.124 -9.804 154 HAG 4FU 16 HAG 4FU 16 9.525 -5.432 -8.018 155 H12 4FU 16 HAH 4FU 16 8.255 -6.674 -7.934 156 HAL 4FU 16 HAL 4FU 16 9.532 -7.861 -6.190 157 HAK 4FU 16 HAK 4FU 16 9.176 -6.192 -5.687 158 H14 4FU 16 HAN 4FU 16 11.515 -6.806 -5.194 159 H GLY 17 HN GLY 17 13.990 -8.483 -8.378 160 HA2 GLY 17 HA2 GLY 17 16.286 -8.300 -8.295 161 HA3 GLY 17 HA1 GLY 17 16.023 -6.605 -7.887 162 H VAL 18 HN VAL 18 14.373 -8.520 -5.741 163 HA VAL 18 HA VAL 18 14.606 -8.811 -3.460 164 HB VAL 18 HB VAL 18 17.298 -9.852 -4.417 165 HG11 VAL 18 HG11 VAL 18 17.508 -9.861 -2.085 166 HG12 VAL 18 HG12 VAL 18 16.805 -11.446 -2.378 167 HG13 VAL 18 HG13 VAL 18 15.780 -10.122 -1.830 168 HG21 VAL 18 HG21 VAL 18 16.185 -11.983 -4.686 169 HG22 VAL 18 HG22 VAL 18 15.262 -10.774 -5.580 170 HG23 VAL 18 HG23 VAL 18 14.688 -11.339 -4.010 171 H THR 19 HN THR 19 16.409 -8.502 -1.583 172 HA THR 19 HA THR 19 17.371 -5.714 -1.900 173 HB THR 19 HB THR 19 16.579 -7.235 0.598 174 HG1 THR 19 HG1 THR 19 15.199 -5.836 -1.268 175 HG21 THR 19 HG21 THR 19 18.187 -5.587 1.205 176 HG22 THR 19 HG22 THR 19 16.618 -4.847 1.522 177 HG23 THR 19 HG23 THR 19 17.519 -4.413 0.070 178 H ILE 20 HN ILE 20 19.488 -5.382 -1.852 179 HA ILE 20 HA ILE 20 21.263 -7.254 -0.406 180 HB ILE 20 HB ILE 20 22.913 -6.933 -2.199 181 HG12 ILE 20 HG12 ILE 20 20.678 -5.460 -3.623 182 HG13 ILE 20 HG11 ILE 20 22.140 -4.713 -2.982 183 HG21 ILE 20 HG21 ILE 20 21.169 -8.793 -2.240 184 HG22 ILE 20 HG22 ILE 20 21.915 -8.410 -3.792 185 HG23 ILE 20 HG23 ILE 20 20.295 -7.817 -3.420 186 HD11 ILE 20 HD11 ILE 20 21.915 -6.700 -5.246 187 HD12 ILE 20 HD12 ILE 20 23.448 -6.349 -4.449 188 HD13 ILE 20 HD13 ILE 20 22.580 -5.068 -5.294 189 H ARG 21 HN ARG 21 23.081 -6.224 0.607 190 HA ARG 21 HA ARG 21 23.059 -3.260 0.541 191 HB2 ARG 21 HB2 ARG 21 23.399 -3.219 2.971 192 HB3 ARG 21 HB1 ARG 21 21.862 -3.961 2.543 193 HG2 ARG 21 HG2 ARG 21 22.862 -6.198 2.782 194 HG3 ARG 21 HG1 ARG 21 24.406 -5.461 3.216 195 HD2 ARG 21 HD2 ARG 21 23.158 -6.131 5.234 196 HD3 ARG 21 HD1 ARG 21 23.354 -4.382 5.162 197 HE ARG 21 HE ARG 21 20.909 -5.041 3.933 198 HH11 ARG 21 HH21 ARG 21 22.469 -5.118 7.021 199 HH12 ARG 21 HH22 ARG 21 21.005 -4.897 7.920 200 HH21 ARG 21 HH11 ARG 21 18.985 -4.751 5.106 201 HH22 ARG 21 HH12 ARG 21 19.033 -4.689 6.837 202 H GLU 22 HN GLU 22 24.940 -2.217 0.669 203 HA GLU 22 HA GLU 22 27.401 -3.855 0.637 204 HB2 GLU 22 HB2 GLU 22 26.895 -1.101 -0.480 205 HB3 GLU 22 HB1 GLU 22 28.464 -1.906 -0.471 206 HG2 GLU 22 HG2 GLU 22 27.337 -2.221 -2.638 207 HG3 GLU 22 HG1 GLU 22 27.529 -3.759 -1.803 208 H LYS 23 HN LYS 23 29.319 -3.047 1.643 209 HA LYS 23 HA LYS 23 28.744 -1.560 4.134 210 HB2 LYS 23 HB2 LYS 23 30.735 -2.709 5.042 211 HB3 LYS 23 HB1 LYS 23 29.504 -3.838 4.483 212 HG2 LYS 23 HG2 LYS 23 30.722 -4.171 2.378 213 HG3 LYS 23 HG1 LYS 23 31.925 -2.984 2.861 214 HD2 LYS 23 HD2 LYS 23 32.800 -5.235 3.222 215 HD3 LYS 23 HD1 LYS 23 32.575 -4.430 4.768 216 HE2 LYS 23 HE2 LYS 23 30.483 -5.668 5.135 217 HE3 LYS 23 HE1 LYS 23 30.637 -6.425 3.549 218 HZ1 LYS 23 HZ1 LYS 23 31.715 -8.005 4.674 219 HZ2 LYS 23 HZ2 LYS 23 31.971 -7.016 6.031 220 HZ3 LYS 23 HZ3 LYS 23 33.022 -6.926 4.700 221 HN1 NH2 24 H2 LYS 23 31.123 0.933 3.576 222 HN2 NH2 24 H1 LYS 23 30.027 0.243 4.666
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